Vapor Phase Hydrogen Peroxide Sanitization of an Isolator for Aseptic Filling of Monoclonal Antibody Drug Product - Hydrogen Peroxide Uptake and Impact on Protein Quality.

Science.gov (United States)

Hubbard, Aaron; Reodl, Thomas; Hui, Ada; Knueppel, Stephanie; Eppler, Kirk; Lehnert, Siegfried; Maa, Yuh-Fun

2018-03-15

A monoclonal antibody drug product (DP) manufacturing process was transferred to a different production site, where aseptic filling took place within an isolator that was sanitized using vapor phase hydrogen peroxide (VPHP). A quality-by-design approach was applied for study design to understand the impact of VPHP uptake in the isolator on DP quality. A combination of small-scale and manufacturing-scale studies was performed to evaluate the sensitivity of the monoclonal antibody to hydrogen peroxide (H2O2) as well as VPHP uptake mechanisms during the filling process. The acceptable H2O2 level was determined to be 100 ng/mL for the antibody in the H2O2 spiking study; protein oxidation was observed above this threshold. The most prominent sources of VPHP uptake were identified to be via the silicone tubing assembly (associated with the peristaltic pumps) and open, filled vials. Silicone tubing, an effective depot to H2O2, could absorb VPHP during different stages of the filling process and discharge H2O2 into the DP solution during filling interruptions. A small-scale isolator model, established to simulate manufacturing-scale conditions, was a useful tool in understanding H2O2 uptake in relation to tubing dimensions and VPHP concentration in the isolator air (or atmosphere). Although the tubing assembly had absorbed a substantial amount of VPHP during the decontamination phase, the majority of H2O2 could be removed during tubing cleaning and sterilization in the subsequent isolator aeration phase, demonstrating that H2O2 in the DP solution is taken up primarily via atmospheric VPHP residues in the isolator during filling. Picarro sensor monitoring suggested that the validated VPHP aeration process generates reproducible residual VPHP profiles in isolator air, thus allowing small-scale studies to provide more relevant recommendations on tubing size and interruption time limits for commercial manufacturing. The recommended process parameters were demonstrated to be

Vapor phase versus liquid phase grafting of meso-porous alumina

NARCIS (Netherlands)

Sripathi, V.G.P.; Mojet, Barbara; Nijmeijer, Arian; Benes, Nieck Edwin

2013-01-01

Functionalization of meso-porous c-alumina has been performed by grafting of 3-Aminopropyltrimethoxysilane (3APTMS) simultaneously from either the liquid phase or from the vapor phase. In both cases, after grafting nitrogen physisorption indicates that the materials remain meso-porous with

Vaporized Hydrogen Peroxide (VHP) Decontamination of a Section of a Boeing 747 Cabin

National Research Council Canada - National Science Library

Shaffstall, Robert M; Garner, Robert P; Bishop, Joshua; Cameron-Landis, Lora; Eddington, Donald L; Hau, Gwen; Spera, Shawn; Mielnik, Thaddeus; Thomas, James A

2006-01-01

The use of STERIS Corporation's Vaporized Hydrogen Peroxide (VHP)* technology as a potential biocide for aircraft decontamination was demonstrated in a cabin section of the Aircraft Environment Research Facility...

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

International Nuclear Information System (INIS)

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

1983-01-01

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

Vapor-liquid equilibrium prediction with pseudo-cubic equation of state for binary mixtures containing hydrogen, helium, or neon

Energy Technology Data Exchange (ETDEWEB)

Kato, M.; Tanaka, H. (Nihon Univ.,Fukushima, (Japan). Faculty of Enineering)

1990-03-01

As an equation of state of vapor-liquid equilibrium, an original pseudo-cubic equation of state was previously proposed by the authors of this report and its study is continued. In the present study, new effective critical values of hydrogen, helium and neon were determined empirically from vapor-liquid equilibrium data of literature values against their critical temperatures, critical pressures and critical volumes. The vapor-liquid equilibrium relations of binary system quantum gas mixtures were predicted combining the conventinal pseudo-cubic equation of state and the new effective critical values, and without using binary heteromolecular interaction parameter. The predicted values of hydrogen-ethylene, helium-propane and neon-oxygen systems were compared with literature values. As a result, it was indicated that the vapor-liquid relations of binary system mixtures containing hydrogen, helium and neon can be predicted with favorable accuracy combining the effective critical values and the three parameter pseudo-cubic equation of state. 37 refs., 3 figs., 4 tabs.

Toxicity of vapor phase petroleum contaminants to microbial degrader communities

International Nuclear Information System (INIS)

Long, S.C.; Davey, C.A.

1994-01-01

Petroleum products constitute the largest quantity of synthetic organic chemical products produced in the US. They are comprised of mostly hydrocarbon constituents from many different chemical classes including alkenes, cycloalkanes, aromatic compounds, and polyaromatic hydrocarbons. Many petroleum constituents are classified as volatile organic compounds or VOCs. Petroleum products also constitute a major portion of environmental pollution. One emerging technology, with promise for applications to VOCs in subsurface soil environments, is bioventing coupled with soil vapor extraction. These technologies involve volatilization of contaminants into the soil gas phase by injection and withdrawal of air. This air movement causes enhancement of the aerobic microbial degradation of the mobilized vapors by the indigenous populations. This study investigated the effects of exposure of mixed, subsurface microbial communities to vapor phase petroleum constituents or vapors of petroleum mixtures. Soil slurries were prepared and plated onto mineral salts agar plates and exposed to vapor phase contaminants at equilibrium with pure product. Representative n-alkane, branched alkane, cycloalkane, and aromatic compounds were tested as well as petroleum product mixtures. Vapor exposure altered the numbers and morphologies of the colonies enumerated when compared to controls. However, even at high, equilibrium vapor concentrations, microbial degrader populations were not completely inhibited

UO{sub 2} surface oxidation by mixtures of water vapor and hydrogen as a function of temperature

Energy Technology Data Exchange (ETDEWEB)

Espriu-Gascon, A., E-mail: alexandra.espriu@upc.edu [Department of Chemical Engineering, Universitat Politècnica Catalunya-Barcelona Tech, Diagonal 647, E-08028 Barcelona (Spain); Llorca, J.; Domínguez, M. [Institut de Tècniques Energètiques (INTE), Universitat Politècnica Catalunya-Barcelona Tech, Diagonal 647, E-08028 Barcelona (Spain); Centre for Research in NanoEngineering (CRNE), Universitat Politècnica Catalunya-Barcelona Tech, Diagonal 647, E-08028 Barcelona (Spain); Giménez, J.; Casas, I. [Department of Chemical Engineering, Universitat Politècnica Catalunya-Barcelona Tech, Diagonal 647, E-08028 Barcelona (Spain); Pablo, J. de [Department of Chemical Engineering, Universitat Politècnica Catalunya-Barcelona Tech, Diagonal 647, E-08028 Barcelona (Spain); Fundació CTM Centre Tecnològic, Plaça de la Ciència 2, E-08243 Manresa (Spain)

2015-12-15

In the present work, X-Ray Photoelectron Spectroscopy (XPS) was used to study the effect of water vapor on the UO{sub 2} surface as a function of temperature. The experiments were performed in situ inside a high pressure chamber attached to the XPS instrument. UO{sub 2} samples were put in contact with either hydrogen or argon streams, saturated with water at room temperature, and the sample surface evolution was analyzed by XPS. In the case of the water vapor/argon experiments, one experiment at 350 °C was performed and, in the case of the water vapor/hydrogen experiments, the temperatures used inside the reactor were 60, 120, 200 and 350 °C. On one hand, in presence of argon, the results obtained showed that the water vapor in the argon stream oxidized 93% of the U(IV) in the sample surface. On the other hand, the degree of UO{sub 2} surface oxidation showed a different dependence on the temperature in the experiments performed in the presence of hydrogen: the maximum surface oxidation occurred at 120 °C, where 65.4% of U(IV) in the sample surface was oxidized, while at higher temperatures, the surface oxidation decreased. This observation is attributed to the increase of hydrogen reducing effect when temperature increases which prevents part of the oxidation of the UO{sub 2} surface by the water vapor. - Highlights: • UO{sub 2} surface has been oxidized by water vapor in an argon stream at 350 °C. • H{sub 2} reduced more uranium oxidation produced by water at 350 °C when compared to Ar. • In H{sub 2} presence, the uranium oxidation produced by water depends on the temperature.

Hydrogen peroxide safety issues

International Nuclear Information System (INIS)

Conner, W.V.

1993-01-01

A literature survey was conducted to review the safety issues involved in handling hydrogen peroxide solutions. Most of the information found in the literature is not directly applicable to conditions at the Rocky Flats Plant, but one report describes experimental work conducted previously at Rocky Flats to determine decomposition reaction-rate constants for hydrogen peroxide solutions. Data from this report were used to calculate decomposition half-life times for hydrogen peroxide in solutions containing several decomposition catalysts. The information developed from this survey indicates that hydrogen peroxide will undergo both homogeneous and heterogeneous decomposition. The rate of decomposition is affected by temperature and the presence of catalytic agents. Decomposition of hydrogen peroxide is catalyzed by alkalies, strong acids, platinum group and transition metals, and dissolved salts of transition metals. Depending upon conditions, the consequence of a hydrogen peroxide decomposition can range from slow evolution of oxygen gas to a vapor, phase detonation of hydrogen peroxide vapors

Preparation of hafnium carbide by chemical vapor deposition

International Nuclear Information System (INIS)

Hertz, Dominique.

1974-01-01

Hard, adhesive coatings of single-phase hafnium carbide were obtained by chemical vapor reaction in an atmosphere containing hafnium tetrachloride, methane and a large excess of hydrogen. By varying the gas phase composition and temperature the zones of formation of the different solid phases were studied and the growth of elementary hafnium and carbon deposits evaluated separately. The results show that the mechanism of hafnium carbide deposition does not hardly involve phenomene of homogeneous-phase methane decomposition or tetrachloride reduction by hydrogen unless the atmosphere is very rich or very poor in methane with respect to tetrachloride. However, hydrogen acting inversely on these two reactions, affects the stoichiometry of the substance deposited. The methane decomposition reaction is fairly slow, the reaction leading to hafnium carbide deposition is faster and that of tetrachloride reduction by hydrogen is quite fast [fr

Thermophysical properties of hydrogen along the liquid-vapor coexistence

Science.gov (United States)

Osman, S. M.; Sulaiman, N.; Bahaa Khedr, M.

2016-05-01

We present Theoretical Calculations for the Liquid-Vapor Coexistence (LVC) curve of fluid Hydrogen within the first order perturbation theory with a suitable first order quantum correction to the free energy. In the present equation of state, we incorporate the dimerization of H2 molecule by treating the fluid as a hard convex body fluid. The thermophysical properties of fluid H2 along the LVC curve, including the pressure-temperature dependence, density-temperature asymmetry, volume expansivity, entropy and enthalpy, are calculated and compared with computer simulation and empirical results.

Isotopic analysis of H{sub 2}, HD, D{sub 2} mixtures and analysis of ortho-para-hydrogen mixtures by gas chromatography; Dosages par chromatographie en phase gazeuse de melanges d'hydrogene, d'hydrogene deutere, de deuterium et de melanges ortho-para-hydrogene

Energy Technology Data Exchange (ETDEWEB)

Botter, F; Perriere, G de la; Tistchenko, S [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1961-07-01

This communication describes the present situation concerning the possibilities of vapor phase chromatography for the separation and analysis of mixtures of H{sub 2}, HD and D{sub 2} and of ortho- and para-hydrogen mixtures. Separation factors for physical adsorption of the various varieties of hydrogen have been deduced from chromatograms and have also been measured directly with a static method - the agreements is good. (author) [French] Le present rapport decrit diverses possibilites qu'offre la chromatographie gazeuse d'elution en ce qui concerne le dosage des melanges H{sub 2}, HD, D{sub 2} et des varietes ortho et para de l'hydrogene. On a calcule, a partir des chromatogrammes obtenus, les facteurs de separation par adsorption physique des differentes varietes d'hydrogene, et compare aux facteurs de separation determines par mesure directe. (auteur)

Fundamentals of Friction and Vapor Phase Lubrication

National Research Council Canada - National Science Library

Gellman, Andrew

2004-01-01

This is the final report for the three year research program on "Fundamentals of Friction and Vapor Phase Lubrication" conducted at Carnegie Mellon with support from AFOSR grant number F49630-01-1-0069...

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface.

Science.gov (United States)

Bauer, Brad A; Warren, G Lee; Patel, Sandeep

2009-02-10

anticipated in regions with both liquid and vapor character, interfacial simulations of TIP4P-QDP were performed and compared to TIP4P-FQ, a static polarizability analog. Despite similar features in density profiles such as the position of the GDS and interfacial width, enhanced dipole moments are observed for the TIP4P-QDP interface and onset of the vapor phase. Water orientational profiles show an increased preference (over TIP4P-FQ) in the orientation of the permanent dipole vector of the molecule within the interface; an enhanced z-induced dipole moment directly results from this preference. Hydrogen bond formation is lower, on average, in the bulk for TIP4P-QDP than TIP4P-FQ. However, the average number of hydrogen bonds formed by TIP4P-QDP in the interface exceeds that of TIP4P-FQ, and observed hydrogen bond networks extend further into the gaseous region. The TIP4P-QDP interfacial potential, calculated to be -11.98(±0.08) kcal/mol, is less favorable than that for TIP4P-FQ by approximately 2% as a result of a diminished quadrupole contribution. Surface tension is calculated within a 1.3% reduction from the experimental value. Results reported demonstrate TIP4P-QDP as a model comparable to the popular TIP4P-FQ while accounting for a physical effect previously neglected by other water models. Further refinements to this model, as well as future applications are discussed.

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface

Science.gov (United States)

Bauer, Brad A.; Warren, G. Lee; Patel, Sandeep

2012-01-01

anticipated in regions with both liquid and vapor character, interfacial simulations of TIP4P-QDP were performed and compared to TIP4P-FQ, a static polarizability analog. Despite similar features in density profiles such as the position of the GDS and interfacial width, enhanced dipole moments are observed for the TIP4P-QDP interface and onset of the vapor phase. Water orientational profiles show an increased preference (over TIP4P-FQ) in the orientation of the permanent dipole vector of the molecule within the interface; an enhanced z-induced dipole moment directly results from this preference. Hydrogen bond formation is lower, on average, in the bulk for TIP4P-QDP than TIP4P-FQ. However, the average number of hydrogen bonds formed by TIP4P-QDP in the interface exceeds that of TIP4P-FQ, and observed hydrogen bond networks extend further into the gaseous region. The TIP4P-QDP interfacial potential, calculated to be -11.98(±0.08) kcal/mol, is less favorable than that for TIP4P-FQ by approximately 2% as a result of a diminished quadrupole contribution. Surface tension is calculated within a 1.3% reduction from the experimental value. Results reported demonstrate TIP4P-QDP as a model comparable to the popular TIP4P-FQ while accounting for a physical effect previously neglected by other water models. Further refinements to this model, as well as future applications are discussed. PMID:23133341

Large Scale Tests of Vaporous Hydrogen Peroxide (VHP(Register Trademark)) for Chemical and Biological Weapons Decontamination

National Research Council Canada - National Science Library

Wagner, George; Procell, Larry; Sorrick, David; Maclver, Brian; Turetsky, Abe; Pfarr, Jerry; Dutt, Diane; Brickhouse, Mark

2004-01-01

Vaporous Hydrogen Peroxide (VHP) has been used for more than a decade to sterilize clean rooms and pharmaceutical processing equipment and, more recently, to decontaminate anthraxcontaminated buildings...

Vapor phase elemental sulfur amendment for sequestering mercury in contaminated soil

Science.gov (United States)

Looney, Brian B.; Denham, Miles E.; Jackson, Dennis G.

2014-07-08

The process of treating elemental mercury within the soil is provided by introducing into the soil a heated vapor phase of elemental sulfur. As the vapor phase of elemental sulfur cools, sulfur is precipitated within the soil and then reacts with any elemental mercury thereby producing a reaction product that is less hazardous than elemental mercury.

Biodegradation of vapor-phase toluene in unsaturated porous media: Column experiments

International Nuclear Information System (INIS)

Khan, Ali M.; Wick, Lukas Y.; Harms, Hauke; Thullner, Martin

2016-01-01

Biodegradation of organic chemicals in the vapor phase of soils and vertical flow filters has gained attention as promising approach to clean up volatile organic compounds (VOC). The drivers of VOC biodegradation in unsaturated systems however still remain poorly understood. Here, we analyzed the processes controlling aerobic VOC biodegradation in a laboratory setup mimicking the unsaturated zone above a shallow aquifer. The setup allowed for diffusive vapor-phase transport and biodegradation of three VOC: non-deuterated and deuterated toluene as two compounds of highly differing biodegradability but (nearly) identical physical and chemical properties, and MTBE as (at the applied experimental conditions) non-biodegradable tracer and internal control. Our results showed for toluene an effective microbial degradation within centimeter VOC transport distances despite high gas-phase diffusivity. Degradation rates were controlled by the reactivity of the compounds while oxic conditions were found everywhere in the system. This confirms hypotheses that vadose zone biodegradation rates can be extremely high and are able to prevent the outgassing of VOC to the atmosphere within a centimeter range if compound properties and site conditions allow for sufficiently high degradation rates. - Highlights: • The column setup allows resolving vapor-phase VOC concentration gradients at cm scale resolution. • Vapor-phase and liquid-phase concentrations are measured simultaneously. • Isotopically labelled VOC was used as reference species of low biodegradability. • Biodegradation rates in the unsaturated zone can be very high and act at a cm scale. • Unsaturated material can be an effective bio-barrier avoiding biodegradable VOC emissions. - Microbial degradation activity can be sufficient to remove VOC from unsaturated porous media after a few centimeter of vapor-phase diffusive transport and mayeffectively avoid atmospheric emissions.

Effect of vapor-phase oxygen on chemical vapor deposition growth of graphene

Science.gov (United States)

Terasawa, Tomo-o.; Saiki, Koichiro

2015-03-01

To obtain a large-area single-crystal graphene, chemical vapor deposition (CVD) growth on Cu is considered the most promising. Recently, the surface oxygen on Cu has been found to suppress the nucleation of graphene. However, the effect of oxygen in the vapor phase was not elucidated sufficiently. Here, we investigate the effect of O2 partial pressure (PO2) on the CVD growth of graphene using radiation-mode optical microscopy. The nucleation density of graphene decreases monotonically with PO2, while its growth rate reaches a maximum at a certain pressure. Our results indicate that PO2 is an important parameter to optimize in the CVD growth of graphene.

Direct Vapor-Phase Bromination of Multiwall Carbon Nanotubes

Directory of Open Access Journals (Sweden)

Ilya Mazov

2012-01-01

Full Text Available We present the simple procedure of the vapor-phase bromination of multiwall carbon nanotubes (MWNTs at moderate temperatures. MWNTs with average diameter 9±3 nm were treated with Br2 vapors at 250°C to produce Br-functionalized product. Transmission electron microscopy analysis was used to prove low damage of MWNT walls during bromination. X-ray photoelectron spectroscopy (XPS and differential thermal analysis (DTA were used to investigate chemical composition of the surface of initial and brominated nanotubes. The experimental results show that the structure of MWNTs is not affected by the bromination process and the total amount of Br-containing surface functions reaches 2.5 wt. %. Electrophysical properties of initial and brominated MWNTs were investigated showing decrease of conductivity for functionalized sample. Possible mechanism of the vapor-phase bromination via surface defects and oxygen-containing functional groups was proposed according to data obtained. Additional experiments with bromination of annealed low-defected MWNTs were performed giving Br content a low as 0.75 wt. % proving this hypothesis.

Optimization of the superconducting phase of hydrogen sulfide

Science.gov (United States)

Degtyarenko, N. N.; Masur, E. A.

2015-12-01

The electron and phonon spectra, as well as the densities of electron and phonon states of the SH3 phase and the stable orthorhombic structure of hydrogen sulfide SH2, are calculated for the pressure interval 100-225 GPa. It is found that the I4/ mmm phase can be responsible for the superconducting properties of metallic hydrogen sulfide along with the SH3 phase. Sequential stages for obtaining and conservation of the SH2 phase are proposed. The properties of two (SH2 and SH3) superconducting phases of hydrogen sulfide are compared.

Suppression of metastable-phase inclusion in N-polar (0001¯) InGaN/GaN multiple quantum wells grown by metalorganic vapor phase epitaxy

International Nuclear Information System (INIS)

Shojiki, Kanako; Iwabuchi, Takuya; Kuboya, Shigeyuki; Choi, Jung-Hun; Tanikawa, Tomoyuki; Hanada, Takashi; Katayama, Ryuji; Matsuoka, Takashi; Usami, Noritaka

2015-01-01

The metastable zincblende (ZB) phase in N-polar (0001 ¯ ) (−c-plane) InGaN/GaN multiple quantum wells (MQWs) grown by metalorganic vapor phase epitaxy is elucidated by the electron backscatter diffraction measurements. From the comparison between the −c-plane and Ga-polar (0001) (+c-plane), the −c-plane MQWs were found to be suffered from the severe ZB-phase inclusion, while ZB-inclusion is negligible in the +c-plane MQWs grown under the same growth conditions. The ZB-phase inclusion is a hurdle for fabricating the −c-plane light-emitting diodes because the islands with a triangular shape appeared on a surface in the ZB-phase domains. To improve the purity of stable wurtzite (WZ)-phase, the optimum conditions were investigated. The ZB-phase is dramatically eliminated with decreasing the V/III ratio and increasing the growth temperature. To obtain much-higher-quality MQWs, the thinner InGaN wells and the hydrogen introduction during GaN barriers growth were tried. Consequently, MQWs with almost pure WZ phase and with atomically smooth surface have been demonstrated

Synthesis of ZnO Nanowires via Hotwire Thermal Evaporation of Brass (CuZn) Assisted by Vapor Phase Transport of Methanol

OpenAIRE

Tamil Many K. Thandavan; Siti Meriam Abdul Gani; Chiow San Wong; Roslan Md Nor

2014-01-01

Zinc oxide (ZnO) nanowires (NWs) were synthesized using vapor phase transport (VPT) and thermal evaporation of Zn from CuZn. Time dependence of ZnO NWs growth was investigated for 5, 10, 15, 20, 25, and 30 minutes. Significant changes were observed from the field electron scanning electron microscopy (FESEM) images as well as from the X-ray diffraction (XRD) profile. The photoluminescence (PL) profile was attributed to the contribution of oxygen vacancy, zinc interstitials, and hydrogen defec...

Detailed kinetic and heat transport model for the hydrolysis of lignocellulose by anhydrous hydrogen fluoride vapor

Energy Technology Data Exchange (ETDEWEB)

Rorrer, G.L.; Mohring, W.R.; Lamport, D.T.A.; Hawley, M.C.

1988-01-01

Anhydrous Hydrogen Fluoride (HF) vapor at ambient conditions efficiently and rapidly hydrolyzed lignocellulose to glucose and lignin. The unsteady-state reaction of HF vapor with a single lignocellulose chip was mathematically modeled under conditions where external and internal mass-transfer resistances were minimized. The model incorporated physical adsorption of HF vapor onto the lignocellulosic matrix and solvolysis of cellulose to glucosyl fluoride by adsorbed HF into the differential material and energy balance expressions. Model predictions for the temperature distribution and global glucose yield in the HF-reacting lignocellulose chip as a function of reaction time and HF vapor stream temperature agreed reasonably with the complimentary experimental data. The model correctly predicted that even when mass-transfer resistances for the reaction of HF vapor with a single lignocellulose chip are minimized, external and internal heat-transfer resistances are still significant.

Role of hydrogen in Sb film deposition and characterization of Sb and GexSby films deposited by cyclic plasma enhanced chemical vapor deposition using metal-organic precursors

International Nuclear Information System (INIS)

Kim, Hyung Keun; Jung, Jin Hwan; Choi, Doo Jin

2012-01-01

To meet increasing demands for chemical vapor deposition methods for high performance phase-change memory, cyclic plasma enhanced chemical vapor deposition of Sb and Ge x Sb y phase-change films and characterization of their properties were performed. Two cycle sequences were designed to investigate the role of hydrogen gas as a reduction gas during Sb film deposition. Hydrogen gas was not introduced into the reaction chamber during the purge step in cycle sequence A and was introduced during the purge step for cycle sequence B. The role of hydrogen gas was investigated by comparing the results obtained from these two cycle sequences and was concluded to exert an effect by a combination of precursor decomposition, surface maintenance as a hydrogen termination agent, and surface etching. These roles of hydrogen gas are discussed through consideration of changes in deposition rates, the oxygen concentration on the surface of the Sb film, and observations of film surface morphology. Based on these results, Ge x Sb y phase-change films were deposited with an adequate flow rate of hydrogen gas. The Ge and Sb composition of the film was controlled with the designed cycle sequences. A strong oxygen affinity for Ge was observed during the X-ray photoelectron spectroscopy analysis of Sb 3d, Sb 4d, and Ge 3d orbitals. Based on the XPS results, the ratios of Ge to Sb were calculated to be Ge 0.32 Sb 0.68 , Ge 0.38 Sb 0.62 , Ge 0.44 Sb 0.56 , Ge 0.51 Sb 0.49 and Ge 0.67 Sb 0.33 for the G1S7, G1S3, G1S2, G1S1, and G2S1 cycles, respectively. Crystal structures of Sb, Ge, and the GeSb metastable phase were observed with various Ge x Sb y film compositions. Sb crystallinity decreased with respect to Ge crystallinity by increasing the Ge fraction. A current–voltage curve was introduced, and an electro-switching phenomenon was clearly generated at a typical voltage, V th . V th values increased in conjunction with an increased proportion of Ge. The Sb crystallinity decrease and V

High-pressure vapor-phase hydrodeoxygenation of lignin-derived oxygenates to hydrocarbons by a PtMo bimetallic catalyst: Product selectivity, reaction pathway, and structural characterization

Energy Technology Data Exchange (ETDEWEB)

Yohe, Sara L.; Choudhari, Harshavardhan J.; Mehta, Dhairya D.; Dietrich, Paul J.; Detwiler, Michael D.; Akatay, Cem M.; Stach, Eric A.; Miller, Jeffrey T.; Delgass, W. Nicholas; Agrawal, Rakesh; Ribeiro, Fabio H.

2016-12-01

High-pressure, vapor-phase, hydrodeoxygenation (HDO) reactions of dihydroeugenol (2-methoxy-4-propylphenol), as well as other phenolic, lignin-derived compounds, were investigated over a bimetallic platinum and molybdenum catalyst supported on multi-walled carbon nanotubes (5%Pt2.5%Mo/MWCNT). Hydrocarbons were obtained in 100% yield from dihydroeugenol, including 98% yield of the hydrocarbon propylcyclohexane. The final hydrocarbon distribution was shown to be a strong function of hydrogen partial pressure. Kinetic analysis showed three main dihydroeugenol reaction pathways: HDO, hydrogenation, and alkylation. The major pathway occurred via Pt catalyzed hydrogenation of the aromatic ring and methoxy group cleavage to form 4-propylcyclohexanol, then Mo catalyzed removal of the hydroxyl group by dehydration to form propylcyclohexene, followed by hydrogenation of propylcyclohexene on either the Pt or Mo to form the propylcyclohexane. Transalkylation by the methoxy group occurred as a minor side reaction. Catalyst characterization techniques including chemisorption, scanning transmission electron microscopy, X-ray absorption spectroscopy, and X-ray photoelectron spectroscopy were employed to characterize the catalyst structure. Catalyst components identified were Pt particles, bimetallic PtMo particles, a Mo carbide-like phase, and Mo oxide phases.

Phase relationship, vaporization, and thermodynamic properties of the lanthanum--boron system

International Nuclear Information System (INIS)

Storms, E.; Mueller, B.

1978-01-01

The La-B system was studied between LaB/sub 4.24/ and LaB/sub 29.2/, and between 1400 and 2100 K to determine the phase relationship, the chemical activity of the components, the vaporization rate, and the vapor composition. A blue colored phase near LaB 9 was found to exist between purple colored LaB 6 and elemental boron. Diffusion is so much slower than vaporization that large composition differences can exist between the surface and the interior which, nevertheless, produce a steady state loss rate from freely vaporizing material. The flux at 1700 K is 6 x 10 -10 g/cm 2 s for LaB 4 +LaB 6 and 7 x 10 -11 g/cm 2 s for LaB 6 + LaB 9 . There is an activation energy which lowers the vaporization rate of boron from LaB 6 . Freely vaporizing material will have a steady state surface composition between LaB/sub 6.04/ and LaB/sub 6.07/, depending on temperature, purity, and interior composition. The free energy of formation of LaB 6 is (0.07lT - 351)kJ/mol between 1700 and 2100 K

Problems of hydrogen - water vapor - inert gas mixture use in heavy liquid metal coolant technology

International Nuclear Information System (INIS)

Ul'yanov, V.V.; Martynov, P.N.; Gulevskij, V.A.; Teplyakov, Yu.A.; Fomin, A.S.

2014-01-01

The reasons of slag deposit formation in circulation circuits with heavy liquid metal coolants, which can cause reactor core blockage, are considered. To prevent formation of deposits hydrogen purification of coolant and surfaces of circulation circuit is used. It consists in introduction of gaseous mixtures hydrogen - water vapor - rare gas (argon or helium) directly into coolant flow. The principle scheme of hydrogen purification and the processes occurring during it are under consideration. Measures which make it completely impossible to overlap of the flow cross section of reactor core, steam generators, pumps and other equipment by lead oxides in reactor facilities with heavy liquid metal coolants are listed [ru

Experimental study of hydrogen jet ignition and jet extinguishment

International Nuclear Information System (INIS)

Wierman, R.W.

1979-04-01

Two phases are described of an experimental study that investigated: (1) the ignition characteristics of hydrogen--sodium jets, (2) the formation of hydrogen in sodium--humid air atmospheres, and (3) the extinguishment characteristics of burning hydrogen--sodium jets. Test conditions were similar to those postulated for highly-improbable breeder reactor core melt-through accidents and included: jet temperature, jet velocity, jet hydrogen concentration, jet sodium concentration, atmospheric oxygen concentration, and atmospheric water vapor concentration

Hydrate dissociation conditions for gas mixtures containing carbon dioxide, hydrogen, hydrogen sulfide, nitrogen, and hydrocarbons using SAFT

International Nuclear Information System (INIS)

Li Xiaosen; Wu Huijie; Li Yigui; Feng Ziping; Tang Liangguang; Fan Shuanshi

2007-01-01

A new method, a molecular thermodynamic model based on statistical mechanics, is employed to predict the hydrate dissociation conditions for binary gas mixtures with carbon dioxide, hydrogen, hydrogen sulfide, nitrogen, and hydrocarbons in the presence of aqueous solutions. The statistical associating fluid theory (SAFT) equation of state is employed to characterize the vapor and liquid phases and the statistical model of van der Waals and Platteeuw for the hydrate phase. The predictions of the proposed model were found to be in satisfactory to excellent agreement with the experimental data

The effect of vadose zone heterogeneities on vapor phase migration and aquifer contamination by volatile organics

Energy Technology Data Exchange (ETDEWEB)

Seneviratne, A.; Findikakis, A.N. [Bechtel Corporation, San Francisco, CA (United States)

1995-03-01

Organic vapors migrating through the vadose zone and inter-phase transfer can contribute to the contamination of larger portions of aquifers than estimated by accounting only for dissolved phase transport through the saturated zone. Proper understanding of vapor phase migration pathways is important for the characterization of the extent of both vadose zone and the saturated zone contamination. The multiphase simulation code T2VOC is used to numerically investigate the effect of heterogeneties on the vapor phase migration of chlorobenzene at a hypothetical site where a vapor extraction system is used to remove contaminants. Different stratigraphies consisting of alternate layers of high and low permeability materials with soil properties representative of gravel, sandy silt and clays are evaluated. The effect of the extent and continuity of low permeability zones on vapor migration is evaluated. Numerical simulations are carried out for different soil properties and different boundary conditions. T2VOC simulations with zones of higher permeability were made to assess the role of how such zones in providing enhanced migration pathways for organic vapors. Similarly, the effect of the degree of saturation of the porous medium on vapor migration was for a range of saturation values. Increased saturation reduces the pore volume of the medium available for vapor diffusion. Stratigraphic units with higher aqueous saturation can retard the vapor phase migration significantly.

Liquid-phase chemical hydrogen storage: catalytic hydrogen generation under ambient conditions.

Science.gov (United States)

Jiang, Hai-Long; Singh, Sanjay Kumar; Yan, Jun-Min; Zhang, Xin-Bo; Xu, Qiang

2010-05-25

There is a demand for a sufficient and sustainable energy supply. Hence, the search for applicable hydrogen storage materials is extremely important owing to the diversified merits of hydrogen energy. Lithium and sodium borohydride, ammonia borane, hydrazine, and formic acid have been extensively investigated as promising hydrogen storage materials based on their relatively high hydrogen content. Significant advances, such as hydrogen generation temperatures and reaction kinetics, have been made in the catalytic hydrolysis of aqueous lithium and sodium borohydride and ammonia borane as well as in the catalytic decomposition of hydrous hydrazine and formic acid. In this Minireview we briefly survey the research progresses in catalytic hydrogen generation from these liquid-phase chemical hydrogen storage materials.

Electrocatalytic reduction of oxygen at vapor phase polymerized ...

African Journals Online (AJOL)

We successfully polymerized poly(3,4-ethylenedioxidethiophene) by vapor phase polymerization technique on rotating glassy carbon disk electrode. The catalytic activity of this electrode towards oxygen reduction reaction was investigated and showed remarkable activity. Rotating disk voltammetry was used to study the ...

The nuclear liquid-vapor phase transition: Equilibrium between phases or free decay in vacuum?

International Nuclear Information System (INIS)

Phair, L.; Moretto, L.G.; Elliott, J.B.; Wozniak, G.J.

2002-01-01

Recent analyses of multifragmentation in terms of Fisher's model and the related construction of a phase diagram brings forth the problem of the true existence of the vapor phase and the meaning of its associated pressure. Our analysis shows that a thermal emission picture is equivalent to a Fisher-like equilibrium description which avoids the problem of the vapor and explains the recently observed Boltzmann-like distribution of the emission times. In this picture a simple Fermi gas thermometric relation is naturally justified. Low energy compound nucleus emission of intermediate mass fragments is shown to scale according to Fisher's formula and can be simultaneously fit with the much higher energy ISiS multifragmentation data

Preparation and Hydrogen Storage Properties of Mg-Rich Mg-Ni Ultrafine Particles

Directory of Open Access Journals (Sweden)

Jianxin Zou

2012-01-01

Full Text Available In the present work, Mg-rich Mg-Ni ultrafine powders were prepared through an arc plasma method. The phase components, microstructure, and hydrogen storage properties of the powders were carefully investigated. It is found that Mg2Ni and MgNi2 could be obtained directly from the vapor state reactions between Mg and Ni, depending on the local vapor content in the reaction chamber. A nanostructured MgH2 + Mg2NiH4 hydrogen storage composite could be generated after hydrogenation of the Mg-Ni ultrafine powders. After dehydrogenation, MgH2 and Mg2NiH4 decomposed into nanograined Mg and Mg2Ni, respectively. Thermogravimetry/differential scanning calorimetry (TG/DSC analyses showed that Mg2NiH4 phase may play a catalytic role in the dehydriding process of the hydrogenated Mg ultrafine particles.

Vapor-phase biofiltration: Laboratory and field experience

International Nuclear Information System (INIS)

Evans, P.J.; Bourbonais, K.A.; Peterson, L.E.; Lee, J.H.; Laakso, G.L.

1995-01-01

Application of vapor-phase bioreactors (VPBs) to petroleum hydrocarbons is complicated by the different mass transfer characteristics of aliphatics and aromatics. Laboratory- and pilot-scale VPB studies were conducted to evaluate treatment of soil vapor extraction (SVE) off-gas. A mixture of compost, perlite, and activated carbon was the selected medium based on pressure drop, microbial colonization, and adsorption properties. Two different pilot-scale reactors were built with a difference of 70:1 in scale. The smaller VPB's maximum effective elimination capacity (EC) was determined to be 7.2 g m -3 h -1 ; the larger unit's EC was 70% to 80% of this value. Low EC values may be attributable to a combination of mass-transfer and kinetic limitations

Temperature-dependent absorption cross sections for hydrogen peroxide vapor

Science.gov (United States)

Nicovich, J. M.; Wine, P. H.

1988-01-01

Relative absorption cross sections for hydrogen peroxide vapor were measured over the temperature ranges 285-381 K for lambda = 230 nm-295 nm and 300-381 K for lambda = 193 nm-350 nm. The well established 298 K cross sections at 202.6 and 228.8 nm were used as an absolute calibration. A significant temperature dependence was observed at the important tropospheric photolysis wavelengths lambda over 300 nm. Measured cross sections were extrapolated to lower temperatures, using a simple model which attributes the observed temperature dependence to enhanced absorption by molecules possessing one quantum of O-O stretch vibrational excitation. Upper tropospheric photodissociation rates calculated using the extrapolated cross sections are about 25 percent lower than those calculated using currently recommended 298 K cross sections.

Phase-field model of vapor-liquid-solid nanowire growth

Science.gov (United States)

Wang, Nan; Upmanyu, Moneesh; Karma, Alain

2018-03-01

We present a multiphase-field model to describe quantitatively nanowire growth by the vapor-liquid-solid (VLS) process. The free-energy functional of this model depends on three nonconserved order parameters that distinguish the vapor, liquid, and solid phases and describe the energetic properties of various interfaces, including arbitrary forms of anisotropic γ plots for the solid-vapor and solid-liquid interfaces. The evolution equations for those order parameters describe basic kinetic processes including the rapid (quasi-instantaneous) equilibration of the liquid catalyst to a droplet shape with constant mean curvature, the slow incorporation of growth atoms at the droplet surface, and crystallization within the droplet. The standard constraint that the sum of the phase fields equals unity and the conservation of the number of catalyst atoms, which relates the catalyst volume to the concentration of growth atoms inside the droplet, are handled via separate Lagrange multipliers. An analysis of the model is presented that rigorously maps the phase-field equations to a desired set of sharp-interface equations for the evolution of the phase boundaries under the constraint of force balance at three-phase junctions (triple points) given by the Young-Herring relation that includes torque term related to the anisotropy of the solid-liquid and solid-vapor interface excess free energies. Numerical examples of growth in two dimensions are presented for the simplest case of vanishing crystalline anisotropy and the more realistic case of a solid-liquid γ plot with cusped minima corresponding to two sets of (10 ) and (11 ) facets. The simulations reproduce many of the salient features of nanowire growth observed experimentally, including growth normal to the substrate with tapering of the side walls, transitions between different growth orientations, and crawling growth along the substrate. They also reproduce different observed relationships between the nanowire growth

Phase equilibria in the niobium-vanadium-hydrogen system

Energy Technology Data Exchange (ETDEWEB)

Bethin, J. (Grumman Aerospace Corp., Bethpage, NY (USA)); Welch, D.O. (Brookhaven National Lab., Upton, NY (USA)); Pick, M.A. (Commission of the European Communities, Abingdon (UK). JET Joint Undertaking)

1990-01-01

The effect of vanadium additions to niobium on the metal-hydrogen phase equilibria has been studied. Measurements of the equilibrium H{sub 2}(D{sub 2}) pressure-composition-temperature isotherms for Nb{sub 1-x}V{sub x} alloys with 0{le}x<0.2 were used to determine the depression of the {alpha} - {alpha}' critical temperature with increasing vanadium concentration. A simple lattice-fluid model guided reduction of the data. Changes in the triple point temperature as well as the shift of the {zeta} {yields} {epsilon} phase transition were determined by differential scanning calorimetry measurements. A rapid overall depression was found, of the order of 7 K (at.% substituted V){sup -1}, for the metal-hydrogen (deuterium) phase boundary structure when compared with the Nb-H system in the hydrogen concentration range of interest. The results explain the enhanced terminal solubility of hydrogen in this system found previously by other authors. The changes in the phase equilibria are discussed in terms of the effect of hydrogen trapping and compared with the results of a cluster-variation calculation for random-field systems of previous authors, taking into account a distribution of H-site energies due to alloying. (author).

Hybrid vapor phase-solution phase growth techniques for improved CZT(S,Se) photovoltaic device performance

Energy Technology Data Exchange (ETDEWEB)

Chang, Liang-Yi; Gershon, Talia S.; Haight, Richard A.; Lee, Yun Seog

2016-12-27

A hybrid vapor phase-solution phase CZT(S,Se) growth technique is provided. In one aspect, a method of forming a kesterite absorber material on a substrate includes the steps of: depositing a layer of a first kesterite material on the substrate using a vapor phase deposition process, wherein the first kesterite material includes Cu, Zn, Sn, and at least one of S and Se; annealing the first kesterite material to crystallize the first kesterite material; and depositing a layer of a second kesterite material on a side of the first kesterite material opposite the substrate using a solution phase deposition process, wherein the second kesterite material includes Cu, Zn, Sn, and at least one of S and Se, wherein the first kesterite material and the second kesterite material form a multi-layer stack of the absorber material on the substrate. A photovoltaic device and method of formation thereof are also provided.

Influence of soil properties on vapor-phase sorption of trichloroethylene

International Nuclear Information System (INIS)

Bekele, Dawit N.; Naidu, Ravi; Chadalavada, Sreenivasulu

2016-01-01

Highlights: • Vapor intrusion is a major exposure pathway for volatile hydrocarbons. • Certainty in transport processes enhances vapor intrusion model precision. • Detailed understanding of vadose zone vapor transport processes save resources. • Vapor sorption near-steady-state conditions at sites may take months or years. • Type of clay fractions equitably affects sorption of trichloroethylene vapor. - Abstract: Current practices in health risk assessment from vapor intrusion (VI) using mathematical models are based on assumptions that the subsurface sorption equilibrium is attained. The time required for sorption to reach near-steady-state conditions at sites may take months or years to achieve. This study investigated the vapor phase attenuation of trichloroethylene (TCE) in five soils varying widely in clay and organic matter content using repacked columns. The primary indicators of TCE sorption were vapor retardation rate (R_t), the time required for the TCE vapor to pass through the soil column, and specific volume of retention (V_R), and total volume of TCE retained in soil. Results show TCE vapor retardation is mainly due to the rapid partitioning of the compound to SOM. However, the specific volume of retention of clayey soils with secondary mineral particles was higher. Linear regression analyses of the SOM and clay fraction with V_R show that a unit increase in clay fraction results in higher sorption of TCE (V_R) than the SOM. However, partitioning of TCE vapor was not consistent with the samples' surface areas but was mainly a function of the type of secondary minerals present in soils.

Influence of soil properties on vapor-phase sorption of trichloroethylene

Energy Technology Data Exchange (ETDEWEB)

Bekele, Dawit N. [Global Center for Environmental Remediation, University of Newcastle, Callaghan, NSW 2308 (Australia); CRC for Contamination Assessment & Remediation of the Environment, Building X (Environmental Sciences Building), University of South Australia, Mawson Lakes, SA 5095 (Australia); Naidu, Ravi, E-mail: Ravi.Naidu@newcastle.edu.au [Global Center for Environmental Remediation, University of Newcastle, Callaghan, NSW 2308 (Australia); CRC for Contamination Assessment & Remediation of the Environment, Building X (Environmental Sciences Building), University of South Australia, Mawson Lakes, SA 5095 (Australia); Chadalavada, Sreenivasulu [Global Center for Environmental Remediation, University of Newcastle, Callaghan, NSW 2308 (Australia); CRC for Contamination Assessment & Remediation of the Environment, Building X (Environmental Sciences Building), University of South Australia, Mawson Lakes, SA 5095 (Australia)

2016-04-05

Highlights: • Vapor intrusion is a major exposure pathway for volatile hydrocarbons. • Certainty in transport processes enhances vapor intrusion model precision. • Detailed understanding of vadose zone vapor transport processes save resources. • Vapor sorption near-steady-state conditions at sites may take months or years. • Type of clay fractions equitably affects sorption of trichloroethylene vapor. - Abstract: Current practices in health risk assessment from vapor intrusion (VI) using mathematical models are based on assumptions that the subsurface sorption equilibrium is attained. The time required for sorption to reach near-steady-state conditions at sites may take months or years to achieve. This study investigated the vapor phase attenuation of trichloroethylene (TCE) in five soils varying widely in clay and organic matter content using repacked columns. The primary indicators of TCE sorption were vapor retardation rate (R{sub t}), the time required for the TCE vapor to pass through the soil column, and specific volume of retention (V{sub R}), and total volume of TCE retained in soil. Results show TCE vapor retardation is mainly due to the rapid partitioning of the compound to SOM. However, the specific volume of retention of clayey soils with secondary mineral particles was higher. Linear regression analyses of the SOM and clay fraction with V{sub R} show that a unit increase in clay fraction results in higher sorption of TCE (V{sub R}) than the SOM. However, partitioning of TCE vapor was not consistent with the samples' surface areas but was mainly a function of the type of secondary minerals present in soils.

MEMS Lubrication by In-Situ Tribochemical Reactions From the Vapor Phase.

Energy Technology Data Exchange (ETDEWEB)

Dugger, Michael Thomas; Asay, David B.; Kim, Seong H.

2008-01-01

Vapor Phase Lubrication (VPL) of silicon surfaces with pentanol has been demonstrated. Two potential show stoppers with respect to application of this approach to real MEMS devices have been investigated. Water vapor was found to reduce the effectiveness of VPL with alcohol for a given alcohol concentration, but the basic reaction mechanism observed in water-free environments is still active, and devices operated much longer in mixed alcohol and water vapor environments than with chemisorbed monolayer lubricants alone. Complex MEMS gear trains were successfully lubricated with alcohol vapors, resulting in a factor of 104 improvement in operating life without failure. Complex devices could be made to fail if operated at much higher frequencies than previously used, and there is some evidence that the observed failure is due to accumulation of reaction products at deeply buried interfaces. However, if hypothetical reaction mechanisms involving heated surfaces are valid, then the failures observed at high frequency may not be relevant to operation at normal frequencies. Therefore, this work demonstrates that VPL is a viable approach for complex MEMS devices in conventional packages. Further study of the VPL reaction mechanisms are recommended so that the vapor composition may be optimized for low friction and for different substrate materials with potential application to conventionally fabricated, metal alloy parts in weapons systems. Reaction kinetics should be studied to define effective lubrication regimes as a function of the partial pressure of the vapor phase constituent, interfacial shear rate, substrate composition, and temperature.

Vaporization study on vanadium monoxide and two-phase mixture of vanadium and vanadium monoxide by mass-spectrometric method

International Nuclear Information System (INIS)

Banchorndhevakul, W.; Matsui, Tsuneo; Naito, Keiji

1986-01-01

The vapor pressures over single phase vanadium monoxide VO 1.022 (s) and the two-phase mixture of vanadium metal (β phase) and vanadium monoxide were measured by mass-spectrometric method in the temperature range of 1,803 ∼ 1,990 and 1,703 ∼ 1,884 K, respectively. The main gas species over both systems were found to be VO(g) and V(g). The vapor pressure of VO(g) over the two-phase mixture of V(s) and VO(s) was a little lower than that over single phase VO(s). The vapor pressure of V(g) over the two-phase mixture was nearly equal to that over single phase. From the vapor pressure data, the enthalpies of vaporization, the enthalpies of formation for VO(g) and V(g) and the dissociation energy of VO(g) were determined. The oxygen partial pressure was calculated as a function of temperature from the vapor pressures of VO(g) and V(g), from which the partial molar enthalpies and entropies of oxygen in both systems were obtained. (author)

Hydrogen speciation in hydrated layers on nuclear waste glass

International Nuclear Information System (INIS)

Aines, R.D.; Weed, H.C.; Bates, J.K.

1987-01-01

The hydration of an outer layer on nuclear waste glasses is known to occur during leaching, but the actual speciation of hydrogen (as water or hydroxyl groups) in these layers has not been determined. As part of the Nevada Nuclear Waste Storage Investigations Project, we have used infrared spectroscopy to determine hydrogen speciations in three nuclear waste glass compositions (SRL-131 and 165, and PNL 76-68), which were leached at 90 0 C (all glasses) or hydrated in a vapor-saturated atmosphere at 202 0 C (SRL-131 only). Hydroxyl groups were found in the surface layers of all the glasses. Molecular water was found in the surface of SRL-131 and PNL 76-68 glasses that had been leached for several months in deionized water, and in the vapor-hydrated sample. The water/hydroxyl ratio increases with increasing reaction time; molecular water makes up most of the hydrogen in the thick reaction layers on vapor-phase hydrated glass while only hydroxyl occurs in the least reacted samples. Using the known molar absorptivities of water and hydroxyl in silica-rich glass the vapor-phase layer contained 4.8 moles/liter of molecular water, and 0.6 moles water in the form hydroxyl. A 15 μm layer on SRL-131 glass formed by leaching at 90 0 C contained a total of 4.9 moles/liter of water, 2/3 of which was as hydroxyl. The unreacted bulk glass contains about 0.018 moles/liter water, all as hydroxyl. The amount of hydrogen added to the SRL-131 glass was about 70% of the original Na + Li content, not the 300% that would result from alkali=hydronium ion interdiffusion. If all the hydrogen is then assumed to be added as the result of alkali-H + interdiffusion, the molecular water observed may have formed from condensation of the original hydroxyl groups

Influence of vapor phase turbulent stress to the onset of slugging in a horizontal pipe

International Nuclear Information System (INIS)

Park, Jee Won

1995-01-01

An influence of the vapor phase turbulent stress(i, e., the two-phase Reynolds stress)to the characteristics of two-phase system in a horizontal pipe has been theoretically investigated. The average two-fluid model has been constituted with closure relations for stratified flow in a horizontal pipe. A vapor phase turbulent stress model for the regular interface geometry has been included. It is found that the second order waves propagate in opposite direction with almost the same speed in the moving frame of reference of the liquid phase velocity. Using the well-posedness limit of the two-phase system, the dispersed-stratified flow regime boundary has been modeled. Two-phase Froude number has been found to be a convenient parameter in quantifying the onset of slugging as a function of the global void fraction. The influence of the vapor phase turbulent stress was found to stabilize the flow stratification. 4 figs., 12 refs. (Author)

Laser-induced separation of hydrogen isotopes in the liquid phase

International Nuclear Information System (INIS)

Beattie, W.; Freund, S.; Holland, R.; Maier, W.

1980-01-01

A process for separating hydrogen isotopes which comprises (A) forming a liquid phase of hydrogen-bearing feedstock compound at a temperature at which the spectral features of the feedstock compound are narrow enough or the absorption edges sharp enough to permit spectral features corresponding to the different hydrogen isotopes to be separated to be distinguished, (B) irradiating the liquid phase at said temperature with monochromatic radiation of a first wavelength which selectively or at least preferentially excites those molecules of said feedstock compound containing a first hydrogen isotope, and (C) subjecting the excited molecules to physical or chemical processes or a combination thereof whereby said first hydrogen isotope contained in said excited molecules is separated from other hydrogen isotopes contained in the unexcited molecules in said liquid phase

Improved thermal lattice Boltzmann model for simulation of liquid-vapor phase change

Science.gov (United States)

Li, Qing; Zhou, P.; Yan, H. J.

2017-12-01

In this paper, an improved thermal lattice Boltzmann (LB) model is proposed for simulating liquid-vapor phase change, which is aimed at improving an existing thermal LB model for liquid-vapor phase change [S. Gong and P. Cheng, Int. J. Heat Mass Transfer 55, 4923 (2012), 10.1016/j.ijheatmasstransfer.2012.04.037]. First, we emphasize that the replacement of ∇ .(λ ∇ T ) /∇.(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) is an inappropriate treatment for diffuse interface modeling of liquid-vapor phase change. Furthermore, the error terms ∂t 0(T v ) +∇ .(T vv ) , which exist in the macroscopic temperature equation recovered from the previous model, are eliminated in the present model through a way that is consistent with the philosophy of the LB method. Moreover, the discrete effect of the source term is also eliminated in the present model. Numerical simulations are performed for droplet evaporation and bubble nucleation to validate the capability of the model for simulating liquid-vapor phase change. It is shown that the numerical results of the improved model agree well with those of a finite-difference scheme. Meanwhile, it is found that the replacement of ∇ .(λ ∇ T ) /∇ .(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) leads to significant numerical errors and the error terms in the recovered macroscopic temperature equation also result in considerable errors.

electrocatalytic reduction of oxygen at vapor phase polymerized poly ...

African Journals Online (AJOL)

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ABSTRACT. We successfully polymerized poly(3,4-ethylenedioxidethiophene) by vapor phase polymerization technique on rotating glassy carbon disk electrode. The catalytic activity of this electrode towards oxygen reduction reaction was investigated and showed remarkable activity. Rotating disk voltammetry was used to ...

Liquid-Vapor Phase Transition: Thermomechanical Theory, Entropy Stable Numerical Formulation, and Boiling Simulations

Science.gov (United States)

2015-05-01

vapor bubbles may generate near blades [40]. This is the phenomenon of cavitation and it is still a limiting factor for ship propeller design. Phase...van der Waals theory with hydrodynamics [39]. The fluid equations based on the van der Waals theory are called the Navier-Stokes-Korteweg equations... cavitating flows, the liquid- vapor phase transition induced by pressure variations. A potential challenge for such a simulation is a proper design of open

Liquid-vapor phase transition upon pressure decrease in the lead-bismuth system

Science.gov (United States)

Volodin, V. N.

2009-11-01

The liquid-vapor phase transitions boundaries were calculated on the basis of the values of vapor pressure of the components in the lead-bismuth system during the stepwise pressure decrease by one order of magnitude from 105 down to 1 Pa. The emergence of azeotropic liquid under pressure lower than 19.3 kPa was ascertained. The emergence of azeotropic mixture near the lead edge of the phase diagram was concluded to be the reason for technological difficulties in the distillation separation of the system into the components in a vacuum.

Fabrication of Cf/SiC composite by chemical vapor infiltration

International Nuclear Information System (INIS)

Park, Ji Yeon; Kim, Weon Ju

2003-07-01

This technical report reviewed the fabrication process of fiber reinforced ceramic composites, characteristics of the chemical vapor infiltration process, and applications for C f /SiC composite to develop a carbon fiber reinforced silicon carbide composite. Infiltration process was performed by the chemical vapor infiltration process using methyltrichlorosilane and hydrogen gas as a source and a diluent, respectively. Infiltration behavior, phase analysis, microstructure observation were carried out. Parameter study results of C f /SiC composite fabricated with some variables such as reaction pressure, reaction temperature, input gas ratio and preform thickness were described

Ti-doped hydrogenated diamond like carbon coating deposited by hybrid physical vapor deposition and plasma enhanced chemical vapor deposition

Science.gov (United States)

Lee, Na Rae; Sle Jun, Yee; Moon, Kyoung Il; Sunyong Lee, Caroline

2017-03-01

Diamond-like carbon films containing titanium and hydrogen (Ti-doped DLC:H) were synthesized using a hybrid technique based on physical vapor deposition (PVD) and plasma enhanced chemical vapor deposition (PECVD). The film was deposited under a mixture of argon (Ar) and acetylene gas (C2H2). The amount of Ti in the Ti-doped DLC:H film was controlled by varying the DC power of the Ti sputtering target ranging from 0 to 240 W. The composition, microstructure, mechanical and chemical properties of Ti-doped DLC:H films with varying Ti concentrations, were investigated using Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), nano indentation, a ball-on-disk tribometer, a four-point probe system and dynamic anodic testing. As a result, the optimum composition of Ti in Ti-doped DLC:H film using our hybrid method was found to be a Ti content of 18 at. %, having superior electrical conductivity and high corrosion resistance, suitable for bipolar plates. Its hardness value was measured to be 25.6 GPa with a low friction factor.

Generalized modeling of multi-component vaporization/condensation phenomena for multi-phase-flow analysis

International Nuclear Information System (INIS)

Morita, K.; Fukuda, K.; Tobita, Y.; Kondo, Sa.; Suzuki, T.; Maschek, W.

2003-01-01

A new multi-component vaporization/condensation (V/C) model was developed to provide a generalized model for safety analysis codes of liquid metal cooled reactors (LMRs). These codes simulate thermal-hydraulic phenomena of multi-phase, multi-component flows, which is essential to investigate core disruptive accidents of LMRs such as fast breeder reactors and accelerator driven systems. The developed model characterizes the V/C processes associated with phase transition by employing heat transfer and mass-diffusion limited models for analyses of relatively short-time-scale multi-phase, multi-component hydraulic problems, among which vaporization and condensation, or simultaneous heat and mass transfer, play an important role. The heat transfer limited model describes the non-equilibrium phase transition processes occurring at interfaces, while the mass-diffusion limited model is employed to represent effects of non-condensable gases and multi-component mixture on V/C processes. Verification of the model and method employed in the multi-component V/C model of a multi-phase flow code was performed successfully by analyzing a series of multi-bubble condensation experiments. The applicability of the model to the accident analysis of LMRs is also discussed by comparison between steam and metallic vapor systems. (orig.)

Synthesis of chiral polyaniline films via chemical vapor phase polymerization

DEFF Research Database (Denmark)

Chen, J.; Winther-Jensen, B.; Pornputtkul, Y.

2006-01-01

Electrically and optically active polyaniline films doped with (1)-(-)-10- camphorsulfonic acid were successfully deposited on nonconductive substrates via chemical vapor phase polymerization. The above polyaniline/ R- camphorsulfonate films were characterized by electrochemical and physical...

In situ, subsurface monitoring of vapor-phase TCE using fiber optics

International Nuclear Information System (INIS)

Rossabi, J.; Colston, B. Jr.; Brown, S.; Milanovich, F.; Lee, L.T. Jr.

1993-01-01

A vapor-phase, reagent-based, fiber optic trichloroethylene (TCE) sensor developed by Lawrence Livermore National Laboratory (LLNL) was demonstrated at the Savannah River Site (SRS) in two configurations. The first incorporated the sensor into a down-well instrument bounded by two inflatable packers capable of sealing an area for discrete depth analysis. The second involved an integration of the sensor into the probe tip of the Army Corps of Engineers Waterways Experiment Station (WES) cone penetrometry system. Discrete depth measurements of vapor-phase concentrations of TCE in the vadose zone were successfully made using both configurations. These measurements demonstrate the first successful in situ sensing (as opposed to sampling) of TCE at a field site

Irradiation of fish fillets: Relation of vapor phase reactions to storage quality

Science.gov (United States)

Spinelli, J.; Dollar, A.M.; Wedemeyer, G.A.; Gallagher, E.C.

1969-01-01

Fish fillets irradiated under air, nitrogen, oxygen, or carbon dioxide atmospheres developed rancidlike flavors when they were stored at refrigerated temperatures. Packing and irradiating under vacuum or helium prevented development of off-flavors during storage.Significant quantities of nitrate and oxidizing substances were formed when oxygen, nitrogen, or air were present in the vapor or liquid phases contained in a Pyrex glass model system exposed to ionizing radiation supplied by a 60Co source. It was demonstrated that the delayed flavor changes that occur in stored fish fillets result from the reaction of vapor phase radiolysis products and the fish tissue substrates.

Vapor phase reactions in polymerization plasma for divinylsiloxane-bis-benzocyclobutene film deposition

International Nuclear Information System (INIS)

Kinoshita, Keizo; Nakano, Akinori; Kawahara, Jun; Kunimi, Nobutaka; Hayashi, Yoshihiro; Kiso, Osamu; Saito, Naoaki; Nakamura, Keiji; Kikkawa, Takamaro

2006-01-01

Vapor phase reactions in plasma polymerization of divinylsiloxane-bis-benzocyclobutene (DVS-BCB) low-k film depositions on 300 mm wafers were studied using mass spectrometry, in situ Fourier transform infrared, and a surface wave probe. Polymerization via Diels-Alder cycloaddition reaction was identified by the detection of the benzocyclohexene group. Hydrogen addition and methyl group desorption were also detected in DVS-BCB monomer and related large molecules. The dielectric constant k of plasma polymerized DVS-BCB with a plasma source power range up to 250 W was close to ∼2.7 of thermally polymerized DVS-BCB, and increased gradually over 250 W. The electron density at 250 W was about 1.5x10 10 cm -3 . The increase of the k value at higher power was explained by the decrease of both large molecular species via multistep dissociation and incorporation of silica components into the polymer. It was found that the reduction of electron density as well as precursor residence time is important for the plasma polymerization process to prevent the excess dissociation of the precursor

Evidence for extreme partitioning of copper into a magmatic vapor phase

International Nuclear Information System (INIS)

Lowenstern, J.B.; Mahood, G.A.; Rivers, M.L.; Sutton, S.R.

1991-01-01

The discovery of copper sulfides in carbon dioxide- and chlorine-bearing bubbles in phenocryst-hosted melt inclusions shows that copper resides in a vapor phase in some shallow magma chambers. Copper is several hundred times more concentrated in magmatic vapor than in coexisting pantellerite melt. The volatile behavior of copper should be considered when modeling the volcanogenic contribution of metals to the atmosphere and may be important in the formation of copper porphyry ore deposits

Effect of the hydrogen flow rate on the structural and optical properties of hydrogenated amorphous silicon thin films prepared by plasma enhanced chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Ben Amor, Sana; Dimassi, Wissem; Ali Tebai, Mohamed; Ezzaouia, Hatem [Photovoltaic Laboratory Research and Technology Centre of Energy, Borj-Cedria Science and Technology Park, BP 95, 2050 Hammam-Lif (Tunisia)

2012-10-15

Hydrogenated amorphous silicon (a-Si:H) thin films were deposited from pure silane (SiH{sub 4}) and hydrogen (H{sub 2}) gas mixture by plasma enhanced chemical vapor deposition (PECVD) method at low temperature (400 C) using high rf power (60 W). The structural and optical properties of these films are systematically investigated as a function of the flow rate of hydrogen (F{sub H2}).The surface morphology is analyzed by atomic force microscopy (AFM). The characterization of these films with low angle X-ray diffraction revealed that the crystallite size in the films tends to decrease with increase in (F{sub H2}). The Fourier transform infrared (FTIR) spectroscopic analysis showed that at low values of (F{sub H2}),the hydrogen bonding in Si:H films shifts from di-hydrogen (Si-H{sub 2}) and (Si-H{sub 2})n complexes to the mono-hydrogen (Si-H) bonding configuration. Finally, for these optimized conditions, the deposition rate decreases with increasing (F{sub H2}). (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Formation of apatite on hydrogenated amorphous silicon (a-Si:H) film deposited by plasma-enhanced chemical vapor deposition

International Nuclear Information System (INIS)

Liu Xuanyong; Chu, Paul K.; Ding Chuanxian

2007-01-01

Hydrogenated amorphous silicon films were fabricated on p-type, 100 mm diameter silicon wafers by plasma-enhanced chemical vapor deposition (PECVD) using silane and hydrogen. The structure and composition of the hydrogenated amorphous silicon films were investigated using micro-Raman spectroscopy and cross-sectional transmission electron microscopy (XTEM). The hydrogenated amorphous silicon films were subsequently soaked in simulated body fluids to evaluate apatite formation. Carbonate-containing hydroxyapatite (bone-like apatite) was formed on the surface suggesting good bone conductivity. The amorphous structure and presence of surface Si-H bonds are believed to induce apatite formation on the surface of the hydrogenated amorphous silicon film. A good understanding of the surface bioactivity of silicon-based materials and means to produce a bioactive surface is important to the development of silicon-based biosensors and micro-devices that are implanted inside humans

Formation of apatite on hydrogenated amorphous silicon (a-Si:H) film deposited by plasma-enhanced chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Liu Xuanyong [Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050 (China) and Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)]. E-mail: xyliu@mail.sic.ac.cn; Chu, Paul K. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)]. E-mail: paul.chu@cityu.edu.hk; Ding Chuanxian [Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050 (China)

2007-01-15

Hydrogenated amorphous silicon films were fabricated on p-type, 100 mm diameter <1 0 0> silicon wafers by plasma-enhanced chemical vapor deposition (PECVD) using silane and hydrogen. The structure and composition of the hydrogenated amorphous silicon films were investigated using micro-Raman spectroscopy and cross-sectional transmission electron microscopy (XTEM). The hydrogenated amorphous silicon films were subsequently soaked in simulated body fluids to evaluate apatite formation. Carbonate-containing hydroxyapatite (bone-like apatite) was formed on the surface suggesting good bone conductivity. The amorphous structure and presence of surface Si-H bonds are believed to induce apatite formation on the surface of the hydrogenated amorphous silicon film. A good understanding of the surface bioactivity of silicon-based materials and means to produce a bioactive surface is important to the development of silicon-based biosensors and micro-devices that are implanted inside humans.

Vaporization thermodynamics of Pd-rich intermediate phases in the Pd–Yb system

Energy Technology Data Exchange (ETDEWEB)

Ciccioli, A., E-mail: andrea.ciccioli@uniroma1.it [Dipartimento di Chimica, Sapienza Università di Roma, p.le Aldo Moro 5, 00185 Roma (Italy); Balducci, G.; Gigli, G. [Dipartimento di Chimica, Sapienza Università di Roma, p.le Aldo Moro 5, 00185 Roma (Italy); Provino, A. [Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Genova, via Dodecaneso 31, 16146 Genova (Italy); Istituto SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy); Palenzona, A. [Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Genova, via Dodecaneso 31, 16146 Genova (Italy); Manfrinetti, P. [Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Genova, via Dodecaneso 31, 16146 Genova (Italy); Istituto SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy)

2016-02-20

Highlights: • Vaporization equilibria of Pd–Yb intermediate phases investigated by effusion techniques. • Heats of formation of Pd–Yb compounds determined from decomposition/atomization enthalpies. • Phase diagram of the Pd–Yb system re-drawn. • Influence of the Yb valence state on the thermodynamic properties observed. - Abstract: The vaporization thermodynamics of several intermediate phases in the Pd–Yb system was investigated by means of vaporization experiments performed under Knudsen conditions (KEML, Knudsen Effusion Mass Loss). The following thermal decomposition processes were studied in the overall temperature range 819–1240 K and their enthalpy changes determined: 4 PdYb(s) = Pd{sub 4}Yb{sub 3}(s) + Yb(g); 5/3 Pd{sub 4}Yb{sub 3}(s) = 4/3 Pd{sub 5}Yb{sub 3}(s) + Yb(g); 21/13 Pd{sub 5}Yb{sub 3}(s) = 5/13 Pd{sub 21}Yb{sub 10}(s) + Yb(g); 1/3 Pd{sub 21}Yb{sub 10}(s) = 21/9 Pd{sub 3}Yb(s) + Yb(g). Additional measurements were performed by KEMS (Knudsen Effusion Mass Spectrometry) on a Pd-rich two-phase sample, which allowed to detect both Yb(g) and Pd(g) in the vapor phase and to determine the atomization enthalpy of the Pd{sub 3}Yb phase (Pd-rich composition boundary, Pd{sub 3.08}Yb{sub 0.92}): Pd{sub 3.08}Yb{sub 0.92}(s) = 0.92 Yb(g) + 3.08 Pd(g). The enthalpy of formation of this compound was thereafter determined as −68 ± 2 kJ/mol at. and, by combining this value with the decomposition enthalpies derived by KEML, the enthalpies of formation of the studied Pd–Yb intermediate phases were evaluated (kJ/mol at.): −75 ± 4 (Pd{sub 21}Yb{sub 10}), −75 ± 3 (Pd{sub 5}Yb{sub 3}), −73 ± 3 (Pd{sub 4}Yb{sub 3}), and −66 ± 3 (PdYb). A modified version of the Pd–Yb phase diagram is also reported, re-drawn on the basis of literature data and of new experimental information recently become available.

Uranium/water vapor reactions in gaseous atmospheres

International Nuclear Information System (INIS)

Jackson, R.L.; Condon, J.B.; Steckel, L.M.

1977-07-01

Experiments have been performed to determine the effect of varying humidities, gaseous atmospheres, and temperatures on the uranium/water vapor reaction. A balance, which allowed continuous in-system weighings, was used to determine the rates of the uranium/water vapor reactions at water vapor pressures of 383, 1586, and 2853 Pa and at temperatures of 80, 100, and 150 0 C in atmospheres of hydrogen, argon, or argon/oxygen mixtures. Based on rate data, the reactions were characterized as hydriding or nonhydriding. Hydriding reactions were found to be preferred in moist hydrogen systems at the higher temperatures and the lower humidities. The presence of hydrogen in hydriding systems was found to initially inhibit the reaction, but causes an acceleration of the rate in the final stages. In general, reaction rates of hydriding systems approached the hydriding rates calculated and observed in dry hydrogen. Hydriding and nonhydriding reaction rates showed a positive correlation to temperature and water vapor pressure. Final reaction rates in moist argon/oxygen mixtures of 1.93, 4.57, and 9.08 mole percent oxygen were greater than the rates observed in moist hydrogen or argon. Final reaction rates were negatively correlated to the oxygen concentration

Process for the production of hydrogen/deuterium-containing gas

International Nuclear Information System (INIS)

Nitschke, E.; Desai, A.; Ilgner, H.

1978-01-01

A process for the production of hydrogen/deuterium-containing gas is described in which the enriched condensate obtained from the production of a hydrogen/deuterium-containing gas mixture is collected and subjected to a direct exchange of isotopes with the feedsteam admitted to the process. Such condensate can be brought into direct exchange of isotopes with the gas water vapor mixture within the process, viz. ahead of the CO conversion section. The exchange of isotopes may be performed according to the counter-current principle. If it is intended to maintain in the hydrogen/deuterium-containing gas a certain definite content of water vapor whose phase condition is superior to the condition achieved when using normal cooling water, this gas, at least 0.6 kg/m 3 of gas, is subjected to an exchange of isotopes with the water fed additionally into the process

Raman scattering temperature measurements for water vapor in nonequilibrium dispersed two-phase flow

International Nuclear Information System (INIS)

Anastasia, C.M.; Neti, S.; Smith, W.R.; Chen, J.C.

1982-09-01

The objective of this investigation was to determine the feasibility of using Raman scattering as a nonintrusive technique to measure vapor temperatures in dispersed two-phase flow. The Raman system developed for this investigation is described, including alignment of optics and optimization of the photodetector for photon pulse counting. Experimentally obtained Raman spectra are presented for the following single- and two-phase samples: liquid water, atmospheric nitrogen, superheated steam, nitrogen and water droplets in a high void fraction air/water mist, and superheated water vapor in nonequilibrium dispersed flow

Investigation of solid-phase hydrogenation of amino acids and peptides

International Nuclear Information System (INIS)

Zolotarev, Yu.A.; Myasoedov, N.F.; Zajtsev, D.A.; Lubnin, M.Yu.; Tatur, V.Yu.; Kozik, V.S.; Dorokhova, E.M.; Rozenberg, S.N.

1990-01-01

The possibility of synthesizing amino acids and peptides multiply labelled with tritium or deuterium by the method of solid-phase isotopic exchange with gaseous hydrogen isotopes was verified. Establishment of the isotopic hydrogen equilibrium between the gaseous phase and the solid phase formed by the amino acid molecules was found experimentally. The activation energy of the isotopic exchange is 13 kcal/mol. A mathematical model was set up for the isotopic exchange with a probable substitution of hydrogen atoms. Uniformly labelled amino acids were obtained in a high optical purity and with 80 to 90% hydrogen substitution by deuterium and tritium. Tritiated peptides were prepared in high yields at molar activities of 1.5 to 3.7 TBq/mmol. (author). 4 tabs

The influence of liquid/vapor phase change onto the Nusselt number

Science.gov (United States)

Popescu, Elena-Roxana; Colin, Catherine; Tanguy, Sebastien

2017-11-01

In spite of its significant interest in various fields, there is currently a very few information on how an external flow will modify the evaporation or the condensation of a liquid surface. Although most applications involve turbulent flows, the simpler configuration where a laminar superheated or subcooled vapor flow is shearing a saturated liquid interface has still never been solved. Based on a numerical approach, we propose to characterize the interaction between a laminar boundary layer of a superheated or subcooled vapor flow and a static liquid pool at saturation temperature. By performing a full set of simulations sweeping the parameters space, correlations are proposed for the first time on the Nusselt number depending on the dimensionless numbers that characterize both vaporization and condensation. As attended, the Nusselt number decreases or increases in the configurations involving respectively vaporization or condensation. More unexpected is the behaviour of the friction of the vapor flow on the liquid pool, for which we report that it is weakly affected by the phase change, despite the important variation of the local flow structure due to evaporation or condensation.

Liquid hydrogen properties

International Nuclear Information System (INIS)

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

2004-03-01

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

The Use of Vaporous Hydrogen Peroxide for Building Decontamination Final Report CRADA No. TC-2053-02

Energy Technology Data Exchange (ETDEWEB)

Verce, M. F. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Schwartz, L. I. [Strategic Technology Enterprises, Inc., Mentor, OH (United States)

2017-09-08

This was a collaborative effort between LLNL and STE to investigate the use of vaporized hydrogen peroxide (VHP®) to decontaminate spore-contaminated heating, ventilation, and cooling (HV AC) systems in a trailer sized room. LLNL's effort under this CRADA was funded by DOE's Chemical and Biological National Security Program (CBNP), which later became part of Department of Homeland Security in 2004.

Modelling and numerical simulation of liquid-vapor phase transitions

International Nuclear Information System (INIS)

Caro, F.

2004-11-01

This work deals with the modelling and numerical simulation of liquid-vapor phase transition phenomena. The study is divided into two part: first we investigate phase transition phenomena with a Van Der Waals equation of state (non monotonic equation of state), then we adopt an alternative approach with two equations of state. In the first part, we study the classical viscous criteria for selecting weak solutions of the system used when the equation of state is non monotonic. Those criteria do not select physical solutions and therefore we focus a more recent criterion: the visco-capillary criterion. We use this criterion to exactly solve the Riemann problem (which imposes solving an algebraic scalar non linear equation). Unfortunately, this step is quite costly in term of CPU which prevent from using this method as a ground for building Godunov solvers. That is why we propose an alternative approach two equations of state. Using the least action principle, we propose a phase changing two-phase flow model which is based on the second thermodynamic principle. We shall then describe two equilibrium submodels issued from the relaxations processes when instantaneous equilibrium is assumed. Despite the weak hyperbolicity of the last sub-model, we propose stable numerical schemes based on a two-step strategy involving a convective step followed by a relaxation step. We show the ability of the system to simulate vapor bubbles nucleation. (author)

Study on the interaction of lithium orthosilicate with water vapor and hydrogen

International Nuclear Information System (INIS)

Huber, S.

1994-09-01

The present work discusses the adsorption of H 2 O(g) as well as the reactions of D 2 O(g) and D 2 (g) with lithium orthosilicate (Li 4 SiO 4 ), a potential tritium breeding ceramic for future fusion reactors. An apparatus was constructed which permits H 2 O partial pressures as low as 1 μbar to be generated and subsequently measured with high accuracy and precision. Using the frontal analysis of gas chromatography, adsorption isotherms were determined at temperatures and water vapor pressures ranging from 653 to 1093 K and 1 to 10 μbar, respectively. Based upon the data, the tritium inventory at the surface of Li 4 SiO 4 (cr) can be estimated as function of temperature and water vapor concentration in the purge gas of a solid breeder blanket. The reactions of lithium orthosilicate with deuterium oxide and deuterium were studied at high temperature (1160 - 1420K) by means of Knudsen effusion mass spectrometry. In both cases the production of lithium hydroxide and the establishment of an equilibrium between LiOD(g) and D 2 O(g) were observed; D 2 O is derived from oxidation of deuterium, presumably under formation of a reduced surface layer. Equilibrium constants and reaction enthalpies were computed for the reaction of Li 4 SiO 4 (cr) with D 2 O(g). In addition, the vapor pressure of LiOD(g) above Li 4 SiO 4 (cr) was determined as function of temperature and deuterium oxide pressure. Further experiments with lithium orthosilicate were carried out under flowing hydrogen in order to analyze the effects of temperature, H 2 -concentration, gas flow, sample size and sample pretreatment on the formation of water vapor. The results confirm the mass spectrometric findings mentioned above. (orig.) [de

Phase diagram and transport properties for hydrogen-helium fluid planets

International Nuclear Information System (INIS)

Stevenson, D.J.; Salpeter, E.E.

1977-01-01

Hydrogen and helium are the major constituents of Jupiter and Saturn, and phase transitions can have important effects on the planetary structure. In this paper, the relevant phase diagrams and microscopic transport properties are analyzed in detail. The following paper (Paper II) applies these results to the evolution and present dynamic structure of the Jovian planets.Pure hydrogen is first discussed, especially the nature of the molecular-metallic transition and the melting curves for the two phases. It is concluded that at the temperatures and pressures of interest (Tapprox. =10 4 K, Papprox. =1--10 Mbar), both phases are fluid, but the transition between them might nevertheless be first-order. The insulator-metal transition in helium occurs at a much higher pressure (approx.70 Mbars) and is not of interest.The phase diagrams for both molecular and metallic hydrogen-helium mixtures are discussed. In the metallic mixture, calculations indicate a miscibility gap for T9 or approx. =10 4 K. Immiscibility in the molecular mixture is more difficult to predict but almost certainly occurs at much lower temperatures. A fluid-state model is constructed which predicts the likely topology of the three-dimensional phase diagram. The greater solubility of helium in the molecular phase leads to the prediction that the He/H mass ratio is typically twice as large in the molecular phase as in the coexisting metallic phase. Under these circumstances a ''density inversion'' is possible in which the molecular phase becomes more dense than the metallic phase.The partitioning of minor constituents is also considered: The deuterium/hydrogen mass ratio is essentially the same for all coexisting hydrogen-helium phases, at least for T> or approx. =5000 K. The partitioning of H 2 O, CH 4 , and NH 3 probably favors the molecular (or helium-rich) phase. Substances with high conduction electron density (e.g., Al) may partition into the metallic phase

Optimization of Charcoal Production Process from Woody Biomass Waste: Effect of Ni-Containing Catalysts on Pyrolysis Vapors

Directory of Open Access Journals (Sweden)

Jon Solar

2018-05-01

Full Text Available Woody biomass waste (Pinus radiata coming from forestry activities has been pyrolyzed with the aim of obtaining charcoal and, at the same time, a hydrogen-rich gas fraction. The pyrolysis has been carried out in a laboratory scale continuous screw reactor, where carbonization takes place, connected to a vapor treatment reactor, at which the carbonization vapors are thermo-catalytically treated. Different peak temperatures have been studied in the carbonization process (500–900 °C, while the presence of different Ni-containing catalysts in the vapor treatment has been analyzed. Low temperature pyrolysis produces high liquid and solid yields, however, increasing the temperature progressively up to 900 °C drastically increases gas yield. The amount of nickel affects the vapors treatment phase, enhancing even further the production of interesting products such as hydrogen and reducing the generated liquids to very low yields. The gases obtained at very high temperatures (700–900 °C in the presence of Ni-containing catalysts are rich in H2 and CO, which makes them valuable for energy production, as hydrogen source, producer gas or reducing agent.

Organometallic vapor-phase epitaxy theory and practice

CERN Document Server

Stringfellow, Gerald B

1989-01-01

Here is one of the first single-author treatments of organometallic vapor-phase epitaxy (OMVPE)--a leading technique for the fabrication of semiconductor materials and devices. Also included are metal-organic molecular-beam epitaxy (MOMBE) and chemical-beam epitaxy (CBE) ultra-high-vacuum deposition techniques using organometallic source molecules. Of interest to researchers, students, and people in the semiconductor industry, this book provides a basic foundation for understanding the technique and the application of OMVPE for the growth of both III-V and II-VI semiconductor materials and the

Thermodynamic and kinetics models of hydrogen absorption bound to phase transformations

International Nuclear Information System (INIS)

Gondor, G.; Lexcellent, Ch.

2007-01-01

In order to design hydrogen gaseous pressure tanks, the absorption (desorption) of hydrogen has to be described and modelled. The equilibrium state can be described by the 'H 2 gas pressure - H 2 composition in the intermetallic compounds - isotherms' (PCI) curves. Several models of PCI curves already exist. At the beginning of the absorption, the hydrogen atoms and the intermetallic compounds form a solid solution (α phase). When the hydrogen concentration increases, a phase transformation appears changing the α solid solution into an hydride (β phase) (solid solution + H 2 ↔ hydride). When all the solid solution has been transformed into hydride, the absorbed hydrogen atoms are in β phase. A new thermodynamic model has been developed in order to take into account this transition phase. The equilibrium state is then given by a relation between the H 2 gas pressure and the H 2 concentration in the intermetallic compound for a fixed external temperature. Two kinetics models have been developed too; at first has been considered that the kinetics depend only of the entire concentration in the intermetallic compound and of the difference between the applied pressure and the equilibrium pressure. Then, has been considered that the hydrogen concentration changes in the metallic matrix. In this last case, for each hydrogenation process, the absorption velocity is calculated to determine the slowest local process which regulates the local evolution of the hydrogen concentration. These two models are based on the preceding thermodynamic model of the PCI curves. (O.M.)

Preparation of hydrogenated-TiO2/Ti double layered thin films by water vapor plasma treatment

International Nuclear Information System (INIS)

Pranevicius, L.L.; Milcius, D.; Tuckute, S.; Gedvilas, K.

2012-01-01

Highlights: ► We investigated reaction of water plasma with nanocrystalline TiO 2 films. ► Simultaneous oxidation and hydrogenation of Ti was observed during plasma treatment. ► Water plasma treatment forms hydrogenated nanocrystalline TiO 2 in the shallow surface. - Abstract: We have investigated the structural and compositional variations in 200–500 nm thick Ti films deposited by magnetron sputter-deposition technique and treated in water vapor plasma at different processing powers. It was found that the upper layer of treated film with the thickness of 110 nm was changed into the black hydrogenated-TiO 2 with around 16 nm sized nanocystals during 10 min for dissipated power 200 W at room temperature. Analysis of the experimental results is used to obtain insights into the effects of water layer adsorbed on hydrophilic oxidized titanium surfaces exposed to plasma radiation.

Hydrogen plasma enhanced alignment on CNT-STM tips grown by liquid catalyst-assisted microwave plasma-enhanced chemical vapor deposition

International Nuclear Information System (INIS)

Tung, Fa-Kuei; Yoshimura, Masamichi; Ueda, Kazuyuki; Ohira, Yutaka; Tanji, Takayoshi

2008-01-01

Carbon nanotubes are grown directly on a scanning tunneling microscopy tip by liquid catalyst-assisted microwave-enhanced chemical vapor deposition, and effects of hydrogen plasma treatment on the tip have been investigated in detail by field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and Raman spectroscopy. The unaligned CNTs on the as-grown tip apex have been realigned and reshaped by subsequent hydrogen plasma treatment. The diameter of CNTs is enlarged mainly due to amorphous layers being re-sputtered over their outer shells

Comment on "Wigner phase-space distribution function for the hydrogen atom"

DEFF Research Database (Denmark)

Dahl, Jens Peder; Springborg, Michael

1999-01-01

We object to the proposal that the mapping of the three-dimensional hydrogen atom into a four-dimensional harmonic oscillator can be readily used to determine the Wigner phase-space distribution function for the hydrogen atom. [S1050-2947(99)07005-5].......We object to the proposal that the mapping of the three-dimensional hydrogen atom into a four-dimensional harmonic oscillator can be readily used to determine the Wigner phase-space distribution function for the hydrogen atom. [S1050-2947(99)07005-5]....

Comparison of cryopreserved human sperm in vapor and liquid phases of liquid nitrogen: effect on motility parameters, morphology, and sperm function.

Science.gov (United States)

Punyatanasakchai, Piyaphan; Sophonsritsuk, Areephan; Weerakiet, Sawaek; Wansumrit, Surapee; Chompurat, Deonthip

2008-11-01

To compare the effects of cryopreserved sperm in vapor and liquid phases of liquid nitrogen on sperm motility, morphology, and sperm function. Experimental study. Andrology laboratory at Ramathibodi Hospital, Thailand. Thirty-eight semen samples with normal motility and sperm count were collected from 38 men who were either patients of an infertility clinic or had donated sperm for research. Each semen sample was divided into two aliquots. Samples were frozen with static-phase vapor cooling. One aliquot was plunged into liquid nitrogen (-196 degrees C), and the other was stored in vapor-phase nitrogen (-179 degrees C) for 3 days. Thawing was performed at room temperature. Motility was determined by using computer-assisted semen analysis, sperm morphology was determined by using eosin-methylene blue staining, and sperm function was determined by using a hemizona binding test. Most of the motility parameters of sperm stored in the vapor phase were not significantly different from those stored in the liquid phase of liquid nitrogen, except in amplitude of lateral head displacement. The percentages of normal sperm morphology in both vapor and liquid phases also were not significantly different. There was no significant difference in the number of bound sperm in hemizona between sperm cryopreserved in both vapor and liquid phases of liquid nitrogen. Cryopreservation of human sperm in a vapor phase of liquid nitrogen was comparable to cryopreservation in a liquid phase of liquid nitrogen.

Device to remove hydrogen isotopes from a gas phase

International Nuclear Information System (INIS)

Morlock, G.; Wiesemes, J.; Bachner, D.

1977-01-01

The device described here guarantees the selective removal of hydrogen isotopes from gas phases in order to prevent the occurence of explosive H 2 gas mixtures, or to separate off radioactive tritium in nuclear plants from the gas phase. It consists of a closed container whose walls are selectively penetrable by hydrogen isotopes. It is simultaneously filled compactly and presssure-resistant with a metal bulk (e.g. powder, sponges or the like of titanium or other hydrogen isotope binding metal). Walling and bulk are maintained at suitable working temperatures by means of a system according to the Peltier effect. The whole thing is safeguarded by protective walling. (RB) [de

Vapor phase carbonylation of dimethyl ether and methyl acetate with supported transition metal catalysts

International Nuclear Information System (INIS)

Shikada, T.; Fujimoto, K.; Tominaga, H.O.

1986-01-01

The synthesis of acetic acid (AcOH) from methanol (MeOH) and carbon monoxide has been performed industrially in the liquid phase using a rhodium complex catalyst and an iodide promoter. The selectivity to AcOH is more than 99% under mild conditions (175 0 C, 28 atm). The homogeneous rhodium catalyst has been also effective for the synthesis of acetic anhydride (Ac 2 O) by carbonylation of dimethyl ether (DME) or methyl acetate (AcOMe). However, rhodium is one of the most expensive metals and its proved reserves are quite limited. It is highly desired, therefore, to develop a new catalyst as a substitute for rhodium. The authors have already reported that nickel supported on active carbon exhibits an excellent activity for the vapor phase carbonylation of MeOh in the presence of iodide promoter and under moderately pressurized conditions. In addition, corrosive attack on reactors by iodide compounds is expected to be negligible in the vapor phase system. In the present work, vapor phase carbonylation of DME and AcOMe on nickel-active carbon (Ni/A.C.) and molybdenum-active carbon (Mo/A.C.) catalysts was studied

Motor fuels by hydrogenation of liquid hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

1938-05-07

A process is disclosed for the production of knock-stable low-boiling motor fuels by conversion of liquid hydrocarbons which are vaporizable under the reaction conditions, which comprises passing the initial material at a temperature above 380/sup 0/C in a true vapor phase under pressure of more than 40 atmospheres together with hydrogen and gaseous hydrocarbons containing more than 1 carbon atom in the molecule in an amount by volume larger than that of the hydrogen over catalysts stable to poisoning stationarily confined in the reaction vessel.

Liquid and vapor phase fluids visualization using an exciplex chemical sensor

International Nuclear Information System (INIS)

Kim, Jong Uk; Kim, Guang Hoon; Kim, Chang Bum; Suk, Hyyong

2001-01-01

Two dimensional slices of the cross-sectional distributions of fuel images in the combustion chamber were visualized quantitatively using a laser-induced exciplex (excited state complex) fluorescence technique. A new exciplex visualization system consisting of 5%DMA (N, N-dimethylaniline) · 5%1, 4,6-TMN (trimethylnaphthalene) in 90% isooctane (2,2,4-trimethylpentane) fuel was employed. In this method, the vapor phase was tagged by the monomer fluorescence while the liquid phase was tracked by the red-shifted exciplex fluorescence with good spectral and spatial resolution. The direct calibration of the fluorescence intensity as a function of the fluorescing dopant concentrations then permitted the determination of quantitative concentration maps of liquid and vapor phases in the fuel. The 308 nm (XeCl) line of the excimer laser was used to excite the doped molecules in the fuel and the resulting fluorescence images were obtained with an ICCD detector as a function time. In this paper, the spectroscopy of the exciplex chemical sensors as well as the optical diagnostic method of the fluid distribution is discussed in detail.

Utilizing hydrogen in aqueous phase conversion of biomass

Energy Technology Data Exchange (ETDEWEB)

Peng, Baoxiang; Zhao, Chen; Li, Xuebing; Lercher, Johannes A. [Technische Univ. Muenchen, Garching (Germany). Technische Chemie II

2010-12-30

Hydrogen generation and selective hydrodeoxygenation of biomass are the key for the successful integration of biogenic carbon resources for energy carriers and intermediates. This includes the generation of hydrogen from biomass in the liquid phase and more importantly, for the direct utilization of the hydrogen generated into the molecules. We will outline this strategy with two groups of oxofunctionalized molecules, i.e., glycerol as example for the aliphatic group and substituted phenols as the aromatic group. (orig.)

Finite size and Coulomb corrections: from nuclei to nuclear liquid vapor phase diagram

International Nuclear Information System (INIS)

Moretto, L.G.; Elliott, J.B.; Phair, L.

2003-01-01

In this paper we consider the problem of obtaining the infinite symmetric uncharged nuclear matter phase diagram from a thermal nuclear reaction. In the first part we shall consider the Coulomb interaction which, because of its long range makes the definition of phases problematic. This Coulomb effect seems truly devastating since it does not allow one to define nuclear phase transitions much above A ∼ 30. However there may be a solution to this difficulty. If we consider the emission of particles with a sizable charge, we notice that a large Coulomb barrier Bc is present. For T << Bc these channels may be considered effectively closed. Consequently the unbound channels may not play a role on a suitably short time scale. Then a phase transition may still be definable in an approximate way. In the second part of the article we shall deal with the finite size problem by means of a new method, the complement method, which shall permit a straightforward extrapolation to the infinite system. The complement approach consists of evaluating the change in free energy occurring when a particle or cluster is moved from one (finite) phase to another. In the case of a liquid drop in equilibrium with its vapor, this is done by extracting a vapor particle of any given size from the drop and evaluating the energy and entropy changes associated with both the vapor particle and the residual liquid drop (complement)

Hydrogen in intermetallic phases: the system titanium--nickel--hydrogen. Wasserstoff in intermetallischen phasen am beispiel des systems titan-nickel-wasserftoff

Energy Technology Data Exchange (ETDEWEB)

Buchner, H.; Gutjahr, M. A.; Beccu, K. D.; Saeufferer, H.

1972-07-01

The intermetallic phases Ti/sub 2/-Ni (E9/sub 3/-type) and TiNi (B2-type) are able to absorb great amounts of hydrogen interstitially. The E9/sub 3/-structure forms four isotypic hydrogen phases, the lattice parameters of which increase with increasing hydrogen contents (..delta..d/sub max/ = 5.3%). The stoichiometric formulas are: Ti/sub 2/NiH/sub 0/./sub 5/; Ti/sub 2/NiH; Ti/sub 2/NiH/sub 2/; Ti/sub 2/NiH/sub 2/./sub 5/. The lattice parameter of the B2-structure increases from 3.01 A to 3.10 A (..delta..d = 3%), thus forming the stoichiometric TiNiH phase. The TiNiH structure possesses an eight-fold superlattice having a B2 type cell. The positions of hydrogen in the two intermetallic phases Ti/sub 2/Ni and TiNi are discussed from the geometrical point of view. Neutron diffraction diagrams verify these positions for only two hydrogen phases (Ti/sub 2/NiH/sub 0/./sub 5/; Ti/sub 2/NiH). Because of extreme experimental difficulties, the exact hydrogen positions in the phases Ti/sub 2/NiH/sub 2/; Ti/sub 2/NiH/sub 2/./sub 5/; TiNiH are still unknown.

Modeling liquid hydrogen cavitating flow with the full cavitation model

Energy Technology Data Exchange (ETDEWEB)

Zhang, X.B.; Qiu, L.M.; Qi, H.; Zhang, X.J.; Gan, Z.H. [Institute of Refrigeration and Cryogenic Engineering, Zhejiang University, Hangzhou 310027 (China)

2008-12-15

Cavitation is the formation of vapor bubbles within a liquid where flow dynamics cause the local static pressure to drop below the vapor pressure. This paper strives towards developing an effective computational strategy to simulate liquid hydrogen cavitation relevant to liquid rocket propulsion applications. The aims are realized by performing a steady state computational fluid dynamic (CFD) study of liquid hydrogen flow over a 2D hydrofoil and an axisymmetric ogive in Hord's reports with a so-called full cavitation model. The thermodynamic effect was demonstrated with the assumption of thermal equilibrium between the gas phase and liquid phase. Temperature-dependent fluid thermodynamic properties were specified along the saturation line from the ''Gaspak 3.2'' databank. Justifiable agreement between the computed surface pressure, temperature and experimental data of Hord was obtained. Specifically, a global sensitivity analysis is performed to examine the sensitivity of the turbulent computations to the wall grid resolution, wall treatments and changes in model parameters. A proper near-wall model and grid resolution were suggested. The full cavitation model with default model parameters provided solutions with comparable accuracy to sheet cavitation in liquid hydrogen for the two geometries. (author)

A comparison of diamond growth rate using in-liquid and conventional plasma chemical vapor deposition methods

International Nuclear Information System (INIS)

Takahashi, Yoshiyuki; Toyota, Hiromichi; Nomura, Shinfuku; Mukasa, Shinobu; Inoue, Toru

2009-01-01

In order to make high-speed deposition of diamond effective, diamond growth rates for gas-phase microwave plasma chemical vapor deposition and in-liquid microwave plasma chemical vapor deposition are compared. A mixed gas of methane and hydrogen is used as the source gas for the gas-phase deposition, and a methanol solution of ethanol is used as the source liquid for the in-liquid deposition. The experimental system pressure is in the range of 60-150 kPa. While the growth rate of diamond increases as the pressure increases, the amount of input microwave energy per unit volume of diamond is 1 kW h/mm 3 regardless of the method used. Since the in-liquid deposition method provides a superior cooling effect through the evaporation of the liquid itself, a higher electric input power can be applied to the electrodes under higher pressure environments. The growth rate of in-liquid microwave plasma chemical vapor deposition process is found to be greater than conventional gas-phase microwave plasma chemical vapor deposition process under the same pressure conditions.

A comparison of diamond growth rate using in-liquid and conventional plasma chemical vapor deposition methods

Science.gov (United States)

Takahashi, Yoshiyuki; Toyota, Hiromichi; Nomura, Shinfuku; Mukasa, Shinobu; Inoue, Toru

2009-06-01

In order to make high-speed deposition of diamond effective, diamond growth rates for gas-phase microwave plasma chemical vapor deposition and in-liquid microwave plasma chemical vapor deposition are compared. A mixed gas of methane and hydrogen is used as the source gas for the gas-phase deposition, and a methanol solution of ethanol is used as the source liquid for the in-liquid deposition. The experimental system pressure is in the range of 60-150 kPa. While the growth rate of diamond increases as the pressure increases, the amount of input microwave energy per unit volume of diamond is 1 kW h/mm3 regardless of the method used. Since the in-liquid deposition method provides a superior cooling effect through the evaporation of the liquid itself, a higher electric input power can be applied to the electrodes under higher pressure environments. The growth rate of in-liquid microwave plasma chemical vapor deposition process is found to be greater than conventional gas-phase microwave plasma chemical vapor deposition process under the same pressure conditions.

Solid State Transmitters for Water Vapor and Ozone DIAL Systems, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — The focus of this Select Phase II program is to build and deliver laser components both for airborne water vapor and ozone DIAL systems. Specifically, Fibertek...

Estimating enthalpy of vaporization from vapor pressure using Trouton's rule.

Science.gov (United States)

MacLeod, Matthew; Scheringer, Martin; Hungerbühler, Konrad

2007-04-15

The enthalpy of vaporization of liquids and subcooled liquids at 298 K (delta H(VAP)) is an important parameter in environmental fate assessments that consider spatial and temporal variability in environmental conditions. It has been shown that delta H(VAP)P for non-hydrogen-bonding substances can be estimated from vapor pressure at 298 K (P(L)) using an empirically derived linear relationship. Here, we demonstrate that the relationship between delta H(VAP)and PL is consistent with Trouton's rule and the ClausiusClapeyron equation under the assumption that delta H(VAP) is linearly dependent on temperature between 298 K and the boiling point temperature. Our interpretation based on Trouton's rule substantiates the empirical relationship between delta H(VAP) degree and P(L) degrees for non-hydrogen-bonding chemicals with subcooled liquid vapor pressures ranging over 15 orders of magnitude. We apply the relationship between delta H(VAP) degrees and P(L) degrees to evaluate data reported in literature reviews for several important classes of semivolatile environmental contaminants, including polycyclic aromatic hydrocarbons, chlorobenzenes, polychlorinated biphenyls and polychlorinated dibenzo-dioxins and -furans and illustrate the temperature dependence of results from a multimedia model presented as a partitioning map. The uncertainty associated with estimating delta H(VAP)degrees from P(L) degrees using this relationship is acceptable for most environmental fate modeling of non-hydrogen-bonding semivolatile organic chemicals.

Overview: Homogeneous nucleation from the vapor phase-The experimental science.

Science.gov (United States)

Wyslouzil, Barbara E; Wölk, Judith

2016-12-07

Homogeneous nucleation from the vapor phase has been a well-defined area of research for ∼120 yr. In this paper, we present an overview of the key experimental and theoretical developments that have made it possible to address some of the fundamental questions first delineated and investigated in C. T. R. Wilson's pioneering paper of 1897 [C. T. R. Wilson, Philos. Trans. R. Soc., A 189, 265-307 (1897)]. We review the principles behind the standard experimental techniques currently used to measure isothermal nucleation rates, and discuss the molecular level information that can be extracted from these measurements. We then highlight recent approaches that interrogate the vapor and intermediate clusters leading to particle formation, more directly.

Hydrogen Generation from Sugars via Aqueous-Phase Reforming

International Nuclear Information System (INIS)

Randy D Cortright

2006-01-01

Virent Energy Systems, Inc. is commercializing the Aqueous Phase Reforming (APR) process that allows the generation of hydrogen-rich gas streams from biomass-derived compounds such as glycerol, sugars, and sugar alcohols. The APR process is a unique method that generates hydrogen from aqueous solutions of these oxygenated compounds in a single step reactor process compared to the three or more reaction steps required for hydrogen generation via conventional processes that utilize non-renewable fossil fuels. The key breakthrough of the APR process is that the reforming of these aqueous solutions is done in the liquid phase. The patented APR process occurs at temperatures (150 C to 270 C) where the water-gas shift reaction is favorable, making it possible to generate hydrogen with low amounts of CO in a single chemical reactor. Furthermore, the APR process occurs at pressures (typically 15 to 50 bar) where the hydrogen-rich effluent can be effectively purified using either membrane technology or pressure swing adsorption technology. The utilization of biomass-based compounds allows the APR process to be a carbon neutral method to generate hydrogen. In the near term, the feed-stock of interest is waste glycerol that is being generated in large quantities as a byproduct in the production of bio-diesel. Virent has developed the APR system for on-demand generation of hydrogen-rich fuel gas from either glycerol or sorbitol (the sugar alcohol formed by hydrogenation of glucose) to fuel a stationary internal combustion engine driven generator (10 kW). Under a USDOE funded project, Virent is currently developing the APR process to generate high yields of hydrogen from corn-derived glucose. This project objective is to achieve the DOE 2010 cost target for distributed production from renewable liquid fuels of 3.60 dollars/gge (gasoline gallon equivalent) delivered. (authors)

Experiments indicating a second hydrogen ordered phase of ice VI.

Science.gov (United States)

Gasser, Tobias M; Thoeny, Alexander V; Plaga, Lucie J; Köster, Karsten W; Etter, Martin; Böhmer, Roland; Loerting, Thomas

2018-05-14

In the last twelve years five new ice phases were experimentally prepared. Two of them are empty clathrate hydrates and three of them represent hydrogen ordered counterparts of previously known disordered ice phases. Here, we report on hydrogen ordering in ice VI samples produced by cooling at pressures up to 2.00 GPa. Based on results from calorimetry, dielectric relaxation spectroscopy, Raman spectroscopy, and powder X-ray diffraction the existence of a second hydrogen ordered polymorph related to ice VI is suggested. Powder X-ray data show the oxygen network to be the one of ice VI. For the 1.80 GPa sample the activation energy from dielectric spectroscopy is 45 kJ mol -1 , which is much larger than for the known hydrogen ordered proxy of ice VI, ice XV. Raman spectroscopy indicates the 1.80 GPa sample to be more ordered than ice XV. It is further distinct from ice XV in that it experiences hydrogen disordering above ≈103 K which is 26 K below the ice XV to ice VI disordering transition. Consequently, below 103 K it is thermodynamically more stable than ice XV, adding a stability region to the phase diagram of water. For the time being we suggest to call this new phase ice β-XV and to relabel it ice XVIII once its crystal structure is known.

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

Energy Technology Data Exchange (ETDEWEB)

TIAX, LLC

2005-05-04

Phase I Due to the growing interest in establishing a domestic hydrogen infrastructure, several hydrogen fueling stations already have been established around the country as demonstration units. While these stations help build familiarity with hydrogen fuel in their respective communities, hydrogen vehicles are still several years from mass production. This limited number of hydrogen vehicles translates to a limited demand for hydrogen fuel, a significant hurdle for the near-term establishment of commercially viable hydrogen fueling stations. By incorporating a fuel cell and cogeneration system with a hydrogen fueling station, the resulting energy station can compensate for low hydrogen demand by providing both hydrogen dispensing and combined heat and power (CHP) generation. The electrical power generated by the energy station can be fed back into the power grid or a nearby facility, which in turn helps offset station costs. Hydrogen production capacity not used by vehicles can be used to support building heat and power loads. In this way, an energy station can experience greater station utility while more rapidly recovering capital costs, providing an increased market potential relative to a hydrogen fueling station. At an energy station, hydrogen is generated on-site. Part of the hydrogen is used for vehicle refueling and part of the hydrogen is consumed by a fuel cell. As the fuel cell generates electricity and sends it to the power grid, excess heat is reclaimed through a cogeneration system for use in a nearby facility. Both the electrical generation and heat reclamation serve to offset the cost of purchasing the equivalent amount of energy for nearby facilities and the energy station itself. This two-phase project assessed the costs and feasibility of developing a hydrogen vehicle fueling station in conjunction with electricity and cogenerative heat generation for nearby Federal buildings. In order to determine which system configurations and operational

Hydrogen isotope effect through Pd in hydrogen transport pipe

International Nuclear Information System (INIS)

Tamaki, Masayoshi

1992-01-01

This investigation concerns hydrogen system with hydrogen transport pipes for transportation, purification, isotope separation and storage of hydrogen and its isotopes. A principle of the hydrogen transport pipe (heat pipe having hydrogen transport function) was proposed. It is comprised of the heat pipe and palladium alloy tubes as inlet, outlet, and the separation membrane of hydrogen. The operation was as follows: (1) gas was introduced into the heat pipe through the membrane in the evaporator; (2) the introduced gas was transported toward the condenser by the vapor flow; (3) the transported gas was swept and compressed to the end of the condenser by the vapor pressure; and (4) the compressed gas was exhausted from the heat pipe through the membrane in the condenser. The characteristics of the hydrogen transport pipe were examined for various working conditions. Basic performance concerning transportation, evacuation and compression was experimentally verified. Isotopic dihydrogen gases (H 2 and D 2 ) were used as feed gas for examining the intrinsic performance of the isotope separation by the hydrogen transport pipe. A simulated experiment for hydrogen isotope separation was carried out using a hydrogen-helium gas mixture. The hydrogen transport pipe has a potential for isotope separation and purification of hydrogen, deuterium and tritium in fusion reactor technology. (author)

Role of hydrogen in the chemical vapor deposition growth of MoS2 atomic layers

Science.gov (United States)

Li, Xiao; Li, Xinming; Zang, Xiaobei; Zhu, Miao; He, Yijia; Wang, Kunlin; Xie, Dan; Zhu, Hongwei

2015-04-01

Hydrogen plays a crucial role in the chemical vapor deposition (CVD) growth of graphene. Here, we have revealed the roles of hydrogen in the two-step CVD growth of MoS2. Our study demonstrates that hydrogen acts as the following: (i) an inhibitor of the thermal-induced etching effect in the continuous film growth process; and (ii) a promoter of the desulfurization reaction by decreasing the S/Mo atomic ratio and the oxidation reaction of the obtained MoSx (0 desulfurization reaction by decreasing the S/Mo atomic ratio and the oxidation reaction of the obtained MoSx (0 < x < 2) films. A high hydrogen content of more than 100% in argon forms nano-sized circle-like defects and damages the continuity and uniformity of the film. Continuous MoS2 films with a high crystallinity and a nearly perfect S/Mo atomic ratio were finally obtained after sulfurization annealing with a hydrogen content in the range of 20%-80%. This insightful understanding reveals the crucial roles of hydrogen in the CVD growth of MoS2 and paves the way for the controllable synthesis of two-dimensional materials. Electronic supplementary information (ESI) available: Low-magnification optical images; Raman spectra of 0% and 5% H2 samples; AFM characterization; Schematic of the film before and after sulfurization annealing; Schematic illustrations of two typical Raman-active phonon modes (E12g, A1g); Raman (mapping) spectra for 40% and 80% H2 samples before and after sulfurization annealing; PL spectra. See DOI: 10.1039/c5nr00904a

Thermodynamic study of phase transitions in methyl esters of ortho- meta- and para-aminobenzoic acids

International Nuclear Information System (INIS)

Almeida, Ana R.R.P.; Monte, Manuel J.S.

2012-01-01

Highlights: ► Vapor pressures of liquid and crystalline phases of methyl esters of the aminobenzoic acids were measured. ► Accurate values of enthalpies of sublimation, vaporization, and fusion were derived. ► The enthalpy of intermolecular NH–O hydrogen bonds in methyl p-aminobenzoate was determined. ► The volatility of the methyl benzoates was compared with the volatility of the parent acids. - Abstract: A static method based on capacitance gauges was used to measure the vapor pressures of the condensed phases of the methyl esters of the three aminobenzoic acids. For methyl o-aminobenzoate the vapor pressures of the liquid phase were measured in the range (285.4 to 369.5) K. For the meta and para isomers vapor pressures of both crystalline and liquid phases were measured in the ranges (308.9 to 376.6) K, and (332.9 to 428.0) K, respectively. Vapor pressures of the latter compound were also measured using the Knudsen effusion method in the temperature range (319.1 to 341.2) K. From the dependence of the vapor pressures on the temperature, the standard molar enthalpies and entropies of sublimation and of vaporization were derived. Differential scanning calorimetry was used to measure the temperatures and molar enthalpies of fusion of the three isomers. The results enabled the estimation of the enthalpy of the intermolecular (N−H … O) hydrogen bond in the crystalline methyl p-aminobenzoate. A correlation relating the temperature of fusion and the enthalpy and Gibbs energy of sublimation of benzene, methyl benzoates and benzoic acids was derived.

Effect of coexistent hydrogen isotopes on tracer diffusion of tritium in alpha phase of group-V metal-hydrogen systems

International Nuclear Information System (INIS)

Sakamoto, Kan; Hashizume, Kenichi; Sugisaki, Masayasu

2009-01-01

Tracer diffusion coefficients of tritium in the alpha phase of group-V metal-hydrogen systems, α-MH(D)xTy (M=V and Ta; x>>y), were measured in order to clarify the effects of coexistent hydrogen isotopes on the tritium diffusion behavior. The hydrogen concentration dependence of such behavior and the effects of the coexistent hydrogen isotopes (protium and deuterium) were determined. The results obtained in the present (for V and Ta) and previous (for Nb) studies revealed that tritium diffusion was definitely dependent on hydrogen concentration but was not so sensitive to the kind of coexistent hydrogen isotopes. By summarizing those data, it was found that the hydrogen concentration dependence of the tracer diffusion coefficient of tritium in the alpha phase of group-V metals could be roughly expressed by a single empirical curve. (author)

Vapor-phase infrared laser spectroscopy: from gas sensing to forensic urinalysis.

Science.gov (United States)

Bartlome, Richard; Rey, Julien M; Sigrist, Markus W

2008-07-15

Numerous gas-sensing devices are based on infrared laser spectroscopy. In this paper, the technique is further developed and, for the first time, applied to forensic urinalysis. For this purpose, a difference frequency generation laser was coupled to an in-house-built, high-temperature multipass cell (HTMC). The continuous tuning range of the laser was extended to 329 cm(-1) in the fingerprint C-H stretching region between 3 and 4 microm. The HTMC is a long-path absorption cell designed to withstand organic samples in the vapor phase (Bartlome, R.; Baer, M.; Sigrist, M. W. Rev. Sci. Instrum. 2007, 78, 013110). Quantitative measurements were taken on pure ephedrine and pseudoephedrine vapors. Despite featuring similarities, the vapor-phase infrared spectra of these diastereoisomers are clearly distinguishable with respect to a vibrational band centered at 2970.5 and 2980.1 cm(-1), respectively. Ephedrine-positive and pseudoephedrine-positive urine samples were prepared by means of liquid-liquid extraction and directly evaporated in the HTMC without any preliminary chromatographic separation. When 10 or 20 mL of ephedrine-positive human urine is prepared, the detection limit of ephedrine, prohibited in sports as of 10 microg/mL, is 50 or 25 microg/mL, respectively. The laser spectrometer has room for much improvement; its potential is discussed with respect to doping agents detection.

Relativistic Hydrogen-Like Atom on a Noncommutative Phase Space

Science.gov (United States)

Masum, Huseyin; Dulat, Sayipjamal; Tohti, Mutallip

2017-09-01

The energy levels of hydrogen-like atom on a noncommutative phase space were studied in the framework of relativistic quantum mechanics. The leading order corrections to energy levels 2 S 1/2, 2 P 1/2 and 2 P 3/2 were obtained by using the 𝜃 and the \\bar θ modified Dirac Hamiltonian of hydrogen-like atom on a noncommutative phase space. The degeneracy of the energy levels 2 P 1/2 and 2 P 3/2 were removed completely by 𝜃-correction. And the \\bar θ -correction shifts these energy levels.

Hydride vapor phase epitaxy growth of GaN, InGaN, ScN, and ScAIN

NARCIS (Netherlands)

Bohnen, T.

2010-01-01

Chemical vapor deposition (CVD); hydride vapor phase epitaxy (HVPE); gallium nitride (GaN); indium gallium nitride (InGaN); scandium nitride (ScN); scandium aluminum nitride (ScAlN); semiconductors; thin films; nanowires; III nitrides; crystal growth - We studied the HVPE growth of different III

Analysis of organic vapors with laser induced breakdown spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Nozari, Hadi; Tavassoli, Seyed Hassan [Laser and Plasma Research Institute, Shahid Beheshti University, G. C, 1983963113 Evin, Tehran (Iran, Islamic Republic of); Rezaei, Fatemeh, E-mail: fatemehrezaei@kntu.ac.ir [Department of Physics, K. N. Toosi University of Technology, 15875-4416 Shariati, Tehran (Iran, Islamic Republic of)

2015-09-15

In this paper, laser induced breakdown spectroscopy (LIBS) is utilized in the study of acetone, ethanol, methanol, cyclohexane, and nonane vapors. Carbon, hydrogen, oxygen, and nitrogen atomic emission spectra have been recorded following laser-induced breakdown of the organic vapors that are mixed with air inside a quartz chamber at atmospheric pressure. The plasma is generated with focused, Q-switched Nd:YAG radiation at the wavelength of 1064 nm. The effects of ignition and vapor pressure are discussed in view of the appearance of the emission spectra. The recorded spectra are proportional to the vapor pressure in air. The hydrogen and oxygen contributions diminish gradually with consecutive laser-plasma events without gas flow. The results show that LIBS can be used to characterize organic vapor.

Analysis of organic vapors with laser induced breakdown spectroscopy

International Nuclear Information System (INIS)

Nozari, Hadi; Tavassoli, Seyed Hassan; Rezaei, Fatemeh

2015-01-01

In this paper, laser induced breakdown spectroscopy (LIBS) is utilized in the study of acetone, ethanol, methanol, cyclohexane, and nonane vapors. Carbon, hydrogen, oxygen, and nitrogen atomic emission spectra have been recorded following laser-induced breakdown of the organic vapors that are mixed with air inside a quartz chamber at atmospheric pressure. The plasma is generated with focused, Q-switched Nd:YAG radiation at the wavelength of 1064 nm. The effects of ignition and vapor pressure are discussed in view of the appearance of the emission spectra. The recorded spectra are proportional to the vapor pressure in air. The hydrogen and oxygen contributions diminish gradually with consecutive laser-plasma events without gas flow. The results show that LIBS can be used to characterize organic vapor

Contributions to reversed-phase column selectivity: III. Column hydrogen-bond basicity.

Science.gov (United States)

Carr, P W; Dolan, J W; Dorsey, J G; Snyder, L R; Kirkland, J J

2015-05-22

Column selectivity in reversed-phase chromatography (RPC) can be described in terms of the hydrophobic-subtraction model, which recognizes five solute-column interactions that together determine solute retention and column selectivity: hydrophobic, steric, hydrogen bonding of an acceptor solute (i.e., a hydrogen-bond base) by a stationary-phase donor group (i.e., a silanol), hydrogen bonding of a donor solute (e.g., a carboxylic acid) by a stationary-phase acceptor group, and ionic. Of these five interactions, hydrogen bonding between donor solutes (acids) and stationary-phase acceptor groups is the least well understood; the present study aims at resolving this uncertainty, so far as possible. Previous work suggests that there are three distinct stationary-phase sites for hydrogen-bond interaction with carboxylic acids, which we will refer to as column basicity I, II, and III. All RPC columns exhibit a selective retention of carboxylic acids (column basicity I) in varying degree. This now appears to involve an interaction of the solute with a pair of vicinal silanols in the stationary phase. For some type-A columns, an additional basic site (column basicity II) is similar to that for column basicity I in primarily affecting the retention of carboxylic acids. The latter site appears to be associated with metal contamination of the silica. Finally, for embedded-polar-group (EPG) columns, the polar group can serve as a proton acceptor (column basicity III) for acids, phenols, and other donor solutes. Copyright © 2015 Elsevier B.V. All rights reserved.

Organic vapor phase composition of sidestream and environmental tobacco smoke from cigarettes

International Nuclear Information System (INIS)

Higgins, C.E.; Jenkins, R.A.; Guerin, M.R.

1987-01-01

Environmental tobacco smoke (ETS) has received considerable attention because of its contribution to indoor air pollution. While some studies have attempted to estimate the exposure of humans to ETS constituents by extrapolating from information gleaned from investigations of sidestream smoke (SS), few studies have reported a direct comparison between the composition of SS and that of ETS. In the study reported here, the authors describe the relative compositional similarities and differences between the vapor phase of SS and that of ETS. SS was generated under different conditions. Both a new laminar flow chamber, which prevents significant alteration of the near-cigarette environment, and a modified Neurath chamber were used for SS generation. ETS samples were collected from an office environment. Vapor phase samples were collected on multi-media resin sorbent traps and analyzed using thermal desorption gas/liquid chromatography employing flame ionization, nitrogen-specific, and mass selective detection. Influences on the compositional profiles by the manner in which the SS is generated are described, as well as the differences between SS and ETS composition resulting from phase transition

Phase Equilibrium of TiO2 Nanocrystals in Flame-Assisted Chemical Vapor Deposition.

Science.gov (United States)

Liu, Changran; Camacho, Joaquin; Wang, Hai

2018-01-19

Nano-scale titanium oxide (TiO 2 ) is a material useful for a wide range of applications. In a previous study, we showed that TiO 2 nanoparticles of both rutile and anatase crystal phases could be synthesized over the size range of 5 to 20 nm in flame-assisted chemical vapor deposition. Rutile was unexpectedly dominant in oxygen-lean synthesis conditions, whereas anatase is the preferred phase in oxygen-rich gases. The observation is in contrast to the 14 nm rutile-anatase crossover size derived from the existing crystal-phase equilibrium model. In the present work, we made additional measurements over a wider range of synthesis conditions; the results confirm the earlier observations. We propose an improved model for the surface energy that considers the role of oxygen desorption at high temperatures. The model successfully explains the observations made in the current and previous work. The current results provide a useful path to designing flame-assisted chemical vapor deposition of TiO 2 nanocrystals with controllable crystal phases. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Science.gov (United States)

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

2013-01-01

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

Polyaniline-polypyrrole composites with enhanced hydrogen storage capacities.

Science.gov (United States)

Attia, Nour F; Geckeler, Kurt E

2013-06-13

A facile method for the synthesis of polyaniline-polypyrrole composite materials with network morphology is developed based on polyaniline nanofibers covered by a thin layer of polypyrrole via vapor phase polymerization. The hydrogen storage capacity of the composites is evaluated at room temperature exhibits a twofold increase in hydrogen storage capacity. The HCl-doped polyaniline nanofibers exhibit a storage capacity of 0.46 wt%, whereas the polyaniline-polypyrrole composites could store 0.91 wt% of hydrogen gas. In addition, the effect of the dopant type, counteranion size, and the doping with palladium nanoparticles on the storage properties are also investigated. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Vapor-deposited non-crystalline phase vs ordinary glasses and supercooled liquids: Subtle thermodynamic and kinetic differences

International Nuclear Information System (INIS)

Bhattacharya, Deepanjan; Sadtchenko, Vlad

2015-01-01

Vapor deposition of molecules on a substrate often results in glassy materials of high kinetic stability and low enthalpy. The extraordinary properties of such glasses are attributed to high rates of surface diffusion during sample deposition, which makes it possible for constituents to find a configuration of much lower energy on a typical laboratory time scale. However, the exact nature of the resulting phase and the mechanism of its formation are not completely understood. Using fast scanning calorimetry technique, we show that out-of-equilibrium relaxation kinetics and possibly the enthalpy of vapor-deposited films of toluene and ethylbenzene, archetypical fragile glass formers, are distinct from those of ordinary supercooled phase even when the deposition takes place at temperatures above the ordinary glass softening transition temperatures. These observations along with the absolute enthalpy dependences on deposition temperatures support the conjecture that the vapor-deposition may result in formation of non-crystalline phase of unique structural, thermodynamic, and kinetic properties

Suppression of nanoindentation-induced phase transformation in crystalline silicon implanted with hydrogen

Science.gov (United States)

Jelenković, Emil V.; To, Suet

2017-09-01

In this paper the effect of hydrogen implantation in silicon on nanoindentation-induced phase transformation is investigated. Hydrogen ions were implanted in silicon through 300 nm thick oxide with double energy implantation (75 and 40 keV). For both energies implantation dose was 4 × 1016 cm-2. Some samples were thermally annealed at 400 °C. The micro-Raman spectroscopy was applied on nanoindentation imprints and the obtained results were related to the pop out/elbow appearances in nanoindentatioin unloading-displacement curves. The Raman spectroscopy revealed a suppression of Si-XII and Si-III phases and formation of a-Si in the indents of hydrogen implanted Si. The high-resolution x-ray diffraction measurements were taken to support the analysis of silicon phase formation during nanoindentation. Implantation induced strain, high hydrogen concentration, and platelets generation were found to be the factors that control suppression of c-Si phases Si-XII and Si-III, as well as a-Si phase enhancement during nanoindentation. [Figure not available: see fulltext.

Formation of Cu, Ag and Au nanofiims under the influence of hydrogen atoms

Directory of Open Access Journals (Sweden)

Zhavzharov E. L.

2015-12-01

Full Text Available Due to their electrical properties, thin metallic films are widely used in modern micro- and nanoelectronics. These properties allow solving fundamental problems of surface and solid state physics. Up-to-date methods of producing thin films involve high vacuum or multi-stage processes, which calls for complicated equipment. The authors propose an alternative method of producing thin metallic films using atomic hydrogen. Exothermal reaction of atoms recombination in a molecule (about 4.5 eV / recombination act initiated on the solid surface by atomic hydrogen may stimulate local heating, spraying and surface atoms transfer. We investigated the process of atomic hydrogen treatment of Cu, Ag and Au metal films, obtained by thermal vacuum evaporation. There are two methods of obtaining nanofilms using atomic hydrogen treatment: sputtering and vapor-phase epitaxy. In the first method, a film is formed by reducing the thickness of the starting film. This method allows obtaining a film as thick as the monolayer. In the second method, a nanofilm is formed by deposition of metal atoms from the vapor phase. This method allows obtaining a film thickness from monolayer to ~10 nm. These methods allow creating nanofilms with controlled parameters and metal thickness. Such films would be technologically pure and have good adhesion.

Optical modulation in nematic phase of halogen substituted hydrogen bonded liquid crystals

Science.gov (United States)

Vijayakumar, V. N.; Madhu Mohan, M. L. N.

2012-01-01

A series of halogen-substituted hydrogen-bonded liquid crystalline complexes have been designed and synthesised. A successful attempt has been made to form complementary hydrogen bonding between the dodecyloxy benzoic acid (12BAO) and halogen-substituted benzoic acids and the physical properties exhibited by the individual complexes are studied. The complexes obtained are analysed by polarising optical microscope (POM), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR) and dielectric studies. The formation of complementary hydrogen bond is confirmed through FTIR spectra. An interesting feature of this series is the observation of a field-induced transition (FiT) in nematic phase. Another interesting phenomenon is the observation of a new smectic X phase (worm-like texture) in all the synthesised complexes. Dielectric relaxation studies in the smectic C phase of these hydrogen bonded complexes along with the Arrhenius and the Cole-Cole plots are discussed. Optical tilt angle in smectic C phase and the corresponding fitted data analysis concur with the Mean field theory prediction.

Variations in stable hydrogen and oxygen isotopes in atmospheric water vapor in the marine boundary layer across a wide latitude range.

Science.gov (United States)

Liu, Jingfeng; Xiao, Cunde; Ding, Minghu; Ren, Jiawen

2014-11-01

The newly-developed cavity ring-down laser absorption spectroscopy analyzer with special calibration protocols has enabled the direct measurement of atmospheric vapor isotopes at high spatial and temporal resolution. This paper presents real-time hydrogen and oxygen stable isotope data for atmospheric water vapor above the sea surface, over a wide range of latitudes spanning from 38°N to 69°S. Our results showed relatively higher values of δ(18)O and δ(2)H in the subtropical regions than those in the tropical and high latitude regions, and also a notable decreasing trend in the Antarctic coastal region. By combining the hydrogen and oxygen isotope data with meteoric water line and backward trajectory model analysis, we explored the kinetic fractionation caused by subsiding air masses and related saturated vapor pressure in the subtropics, and the evaporation-driven kinetic fractionation in the Antarctic region. Simultaneous observations of meteorological and marine variables were used to interpret the isotopic composition characteristics and influential factors, indicating that d-excess is negatively correlated with humidity across a wide range of latitudes and weather conditions worldwide. Coincident with previous studies, d-excess is also positively correlated with sea surface temperature and air temperature (Tair), with greater sensitivity to Tair. Thus, atmospheric vapor isotopes measured with high accuracy and good spatial-temporal resolution could act as informative tracers for exploring the water cycle at different regional scales. Such monitoring efforts should be undertaken over a longer time period and in different regions of the world. Copyright © 2014. Published by Elsevier B.V.

Two phases fermentative process for hydrogen and methane production from cassava wastewater

Directory of Open Access Journals (Sweden)

Aryane Mota Oliveira

2017-04-01

Full Text Available Introduction: Hydrogen and methane production was investigated in two phases of fermentative process. Objective: At the acidogenic phase, an anaerobic fluidized bed reactor was fed with cassava wastewater producing hydrogen. Methods: Expanded clay was used as a support material for biomass immobilization. The reactor was operated with HRT ranging from 8-1 h. Results: The best hydrogen yield production was 1.91 mol H2/mol glucose at HRT of 2 h. At the methanogenic phase, the acidogenic process effluent fed a fixed-bed reactor producing methane. Conclusion: Sururu (Mytella falcata shells was used as support acted as pH neutralizer in the fixed-bed reactor, yielding best (0.430±0.150 Lmethane/gCOD with 12h HRT phase.

Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16

International Nuclear Information System (INIS)

Roux, Maria Victoria; Temprado, Manuel; Chickos, James S.

2005-01-01

The fusion enthalpies of the series butanedioic acid through to tetradecanedioic acid and hexadecanedioic acids have been measured by DSC. In addition to fusion, a number of solid-solid phase transitions have also been detected in these diacids. The vaporization enthalpies of these compounds have been measured by correlation gas chromatography using the vaporization enthalpies of butanedioic, hexanedioic and decanedioic acids as standards. The vaporization enthalpies of the diacids from C 4 to C 10 correlated linearly with the number of methylene groups present. Above C 10 , the vaporization enthalpies of C 11 -C 14 and C 16 begin to deviate from linearity. The vaporization enthalpies for these compounds are dependent on the temperature of the GC column used. Similar departure from linearity has also been observed previously in the sublimation enthalpies for these compounds. The results are discussed in terms of formation of a cyclic intramolecular hydrogen bonded network in the gas phase similar to the bimolecular association observed in smaller mono-carboxylic acids at ambient temperatures

Relationship between hydrogen-induced phase transformations and pitting nucleation sites in duplex stainless steel

Energy Technology Data Exchange (ETDEWEB)

Guo, Liqiu; Yang, Binjie; Qin, Sixiao [University of Science and Technology Beijing (China). Corrosion and Protection Center

2016-02-15

This paper demonstrates the hydrogen-induced phase transformation and the associated pitting nucleation sites of 2507 duplex stainless steel using scanning Kelvin probe force microscopy and magnetic force microscopy. The low potential sites in Volta potential images, which are considered as the pitting nucleation sites, are strongly dependent on the hydrogen-induced phase transformation. They firstly initiate on the magnetic martensite laths in the austenite phase or at the ferrite/austenite boundaries, and then appear near the needle-shaped microtwins in the ferrite phase, because of the difference in physicochemical properties of hydrogen-induced phase transformation microstructures.

Liquid hydrogen and deuterium targets

International Nuclear Information System (INIS)

Bougon, M.; Marquet, M.; Prugne, P.

1961-01-01

A description is given of 1) Atmospheric pressure target: liquid hydrogen, 400 mm thickness; thermal insulation: styrofoam; the hydrogen vapors are used to improve the target cooling; Mylar windows. 2) Vacuum target: 12 liter content: hydrogen or deuterium; liquid thickness 400 mm; thermal insulation is afforded by a vacuum vessel and a liquid nitrogen shield. Recovery and liquefaction of deuterium vapors are managed in the vacuum vessel which holds the target. The target emptying system is designed for operating in a few minutes. (author) [fr

Hydrogen-water vapor mixtures: Control of hydrothermal atmospheres by hydrogen osmosis

Science.gov (United States)

Shaw, H.R.

1963-01-01

Experiments at 700??C and 800 bars total pressure demonstrate positive deviations from ideality for mixtures of hydrogen and H2O gases. The deviations are greater than predicted with Stockmayer's method. The composition of the mixture and the fugacity of hydrogen are controlled by diffusing hydrogen through metallic membranes. The results give the fugacities of both H 2O and oxygen.

Infrared absorption study of hydrogen incorporation in thick nanocrystalline diamond films

International Nuclear Information System (INIS)

Tang, C.J.; Neves, A.J.; Carmo, M.C.

2005-01-01

We present an infrared (IR) optical absorbance study of hydrogen incorporation in nanocrystalline diamond films. The thick nanocrystalline diamond films were synthesized by microwave plasma-assisted chemical vapor deposition and a high growth rate about 3.0 μm/h was achieved. The morphology, phase quality, and hydrogen incorporation were assessed by means of scanning electron microscopy, Raman spectroscopy, and Fourier-transform infrared spectroscopy (FTIR). Large amount of hydrogen bonded to nanocrystalline diamond is clearly evidenced by the huge CH stretching band in the FTIR spectrum. The mechanism of hydrogen incorporation is discussed in light of the growth mechanism of nanocrystalline diamond. This suggests the potential of nanocrystalline diamond for IR electro-optical device applications

Test Plan for Hydrogen Getters Project - Phase II

International Nuclear Information System (INIS)

Mroz, G.

1999-01-01

Hydrogen levels in many transuranic (TRU) waste drums are above the compliance threshold, therefore deeming the drums non-shippable to the Waste Isolation Pilot Plant (WIPP). Hydrogen getters (alkynes and dialkynes) are known to react irreversibly with hydrogen in the presence of certain catalysts. The primary purpose of this investigation is to ascertain the effectiveness of a hydrogen getter in an environment that contains gaseous compounds commonly found in the headspace of drums containing TRU waste. It is not known whether the volatile organic compounds (VOCs) commonly found in the headspace of TRU waste drums will inhibit (''poison'') the effectiveness of the hydrogen getter. The result of this study will be used to assess the feasibility of a hydrogen-getter system, which is capable of removing hydrogen from the payload containers or the Transuranic Package Transporter-II (TRUPACT-II) inner containment vessel to increase the quantity of TRU waste that can be shipped to the WIPP. Phase II for the Hydrogen Getters Project will focus on four primary objectives: Conduct measurements of the relative permeability of hydrogen and chlorinated VOCs through Tedlar (and possibly other candidate packaging materials) Test alternative getter systems as alternatives to semi-permeable packaging materials. Candidates include DEB/Pd/Al2O3 and DEB/Cu-Pd/C. Develop, test, and deploy kinetic optimization model Perform drum-scale test experiments to demonstrate getter effectiveness

Long-term storage and long-distance transportation of hydrogen by use of catalyst-addisted decalin dehydrogenation/naphthalene hydrogenation pair; Dekarin dassuiso/nafutarensuisoka shokubai hannotai wo mochiiru suiso no chokikan chozo/chokyori yuso

Energy Technology Data Exchange (ETDEWEB)

Liu, C.; Sakaguchi, M.; Saito, Y. [Scince Univ.of Tokyo, Tokyo (Japan)

1997-06-01

To enable taking in and out hydrogen with little energy consumption, it is sufficient if decalin is dehydrogenated to naphthalene under moderate heating condition. It is found that carbon supporting metal catalyst in liquid film state shows extremely high dehydrogeno-aromatization activity of decalin. The result of comparison with liquid hydrogen or metal hydride as media for hydrogen storage and transportation media is reported. The platinum-tungsten composite metal catalyst is prepared from an aqueous solution of K2PtC16 and Li2WO4 in the ratio of 1 to 1 so as to achieve 5wt-metal% carbon supporting. When hydrogen and naphthalene are discharged from the liquid phase reaction medium to the vapor phase and solid phase, respectively, under boiling and refluxing conditions, hydrogen is produced steadily by heating at 200 to 210degC. If economical efficiency is ignored, development of an inter-season energy storage system is desired to be developed which can be used in the season between summertime when sufficient hydrogen is obtained by photovoltaic power generation and electrolysis of water and wintertime when heat source is obtained by catalytic combustion of hydrogen. 11 refs., 4 figs., 4 tabs.

Flows of a Vapor due to Phase Change Processes at the Condensed Phases with Temperature Fields as their Internal Structures

National Research Council Canada - National Science Library

Onishi, Yoshimoto; Ooshida, Takeshi

2005-01-01

Transient to steady motions of a vapor caused by the evaporation and condensation processes occurring at the condensed phases placed in parallel have been studied based on the Boltzmann equation of BGK type...

Hydrogen Induced Crack and Phase Transformation in Hydrogen Pressured Tensile Test of 316L Stainless Steel

Energy Technology Data Exchange (ETDEWEB)

Baek, Un Bong; Nam, Sung Hoon [Korea Research Institute of Standards and Science, Daejeon (Korea, Republic of); Choe, Byung Hak; Shim, Jong Hun [Gangneung-Wonju National University, Gangneung (Korea, Republic of); Kim, Young Uk [Hanyang University, Ansan (Korea, Republic of); Kim, Young Suk; Kim, Sung Soo [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Hong, Keyyong [Korea Research Institute of Ship and Ocean Engineering, Deajeon (Korea, Republic of)

2015-02-15

The aim of this investigation is to prove the mechanism of hydrogen induced crack (HIC) of 316L stainless steels in hydrogen pressured tensile test. Microstructures like twin, planar slip, and abnormal phase transformation around the HIC were analyzed by transmission electron microscopy. Deformation twin accompanied by planar slip could be related to the main cause of HIC in the hydrogen pressured tensile condition, because intragranular HICs were mainly observed along the boundaries of twins and planar slip lines. An abnormal forbidden diffraction was also accompanied by HIC in the hydrogen attacked area. Examination of the HIC mechanism in austenitic stainless steel can be applied to the fitness of use for alloys with the possibility of various susceptible cracks in a hydrogen and stress atmosphere.

A review of catalytic aqueous-phase reforming of oxygenated hydrocarbons derived from biorefinery water fractions

NARCIS (Netherlands)

Coronado, I.; Stekrova, M.; Reinikainen, M.; Simell, P.; Lefferts, Leonardus; Lehtonen, J.

2016-01-01

Aqueous-phase reforming (APR) of oxygenated hydrocarbons is a process for the production of hydrogen and light alkanes. The reactants of APR remain in liquid phase during the reaction avoiding an energetically demanding vaporization-step compared to processes such as steam reforming (SR).

Plasma phase transition in dense hydrogen and electron-hole plasmas

CERN Document Server

Filinov, V S; Levashov, P R; Fortov, V E; Ebeling, W; Schlanges, M; Koch, S W

2003-01-01

Plasma phase transitions in dense hydrogen and electron-hole plasmas are investigated by direct path integral Monte Carlo methods. The phase boundary of the electron-hole liquid in germanium is calculated and is found to agree reasonably well with the known experimental results. Analogous behaviour is found for high-density hydrogen. For a temperature of T = 10 000 K it is shown that the internal energy is lowered due to droplet formation for densities between 10 sup 2 sup 3 cm sup - sup 3 and 10 sup 2 sup 4 cm sup - sup 3.

Waste retrieval sluicing system vapor sampling and analysis plan for evaluation of organic emissions, process test phase III

International Nuclear Information System (INIS)

SASAKI, L.M.

1999-01-01

This sampling and analysis plan identifies characterization objectives pertaining to sample collection, laboratory analytical evaluation, and reporting requirements for vapor samples obtained to address vapor issues related to the sluicing of tank 241-C-106. Sampling will be performed in accordance with Waste Retrieval Sluicing System Emissions Collection Phase III (Jones 1999) and Process Test Plan Phase III, Waste Retrieval Sluicing System Emissions Collection (Powers 1999). Analytical requirements include those specified in Request for Ecology Concurrence on Draft Strategy/Path Forward to Address Concerns Regarding Organic Emissions from C-106 Sluicing Activities (Peterson 1998). The Waste Retrieval Sluicing System was installed to retrieve and transfer high-heat sludge from tank 241-C-106 to tank 241-AY-102, which is designed for high-heat waste storage. During initial sluicing of tank 241-C-106 in November 1998, operations were halted due to detection of unexpected high volatile organic compounds in emissions that exceeded regulatory permit limits. Several workers also reported smelling sharp odors and throat irritation. Vapor grab samples from the 296-C-006 ventilation system were taken as soon as possible after detection; the analyses indicated that volatile and semi-volatile organic compounds were present. In December 1998, a process test (phase I) was conducted in which the pumps in tanks 241-C-106 and 241-AY-102 were operated and vapor samples obtained to determine constituents that may be present during active sluicing of tank 241-C-106. The process test was suspended when a jumper leak was detected. On March 7, 1999, phase I1 of the process test was performed; the sluicing system was operated for approximately 7 hours and was ended using the controlled shutdown method when the allowable amount of solids were transferred to 241-AY-102. The phase II test was successful, however, further testing is required to obtain vapor samples at higher emission levels

Near-Horizontal, Two-Phase Flow Patterns of Nitrogen and Hydrogen at Low Mass Heat and Flux (on CD-ROM)

Science.gov (United States)

VanDresar, N. T.; Siegwarth, J. D.

2001-01-01

One reason for NASA's interest in cryogenic two-phase flow with low mass and heat flux is the need to design spacecraft heat exchangers used for vaporizing cryogenic propellants. The CD-ROM provides digitized movies of particular flow patterns observed in experimental work. The movies have been provided in (QuickTime9Trademark) format, encoded at 320w x 240h pixels, 15 fps, using the Sorenson(Trademark) Video Codec for compression. Experiments were conducted to obtain data on the two-phase (liquid and vapor) flow behavior of cryogenic nitrogen and hydrogen under low mass and heat flux conditions. Tests were performed in normal gravity with a 1.5 degree up flow configuration. View ports in the apparatus permitted visual observation of the two-phase flow patterns. Computer codes to predict flow patterns were developed from theoretical/empirical models reported in the literature. Predictions from the computer codes were compared with experimental flow pattern observations. Results are presented employing the traditional two-dimensional flow pattern map format using the liquid and gas superficial velocities as coordinates. In general, the agreement between the experimental results and the analytical predictive methods is reasonably good. Small regions of the flow pattern maps are identified where the models are deficient as a result of neglecting phase change phenomena. Certain regions of the maps were beyond the range of the experiments and could not be completely validated. Areas that could benefit from further work include modeling of the transition from separated flow, collection of additional data in the bubble and annular flow regimes, and collection of experimental data at other inclination angles, tube diameters and high heat flux.

Pressurization of a Flightweight, Liquid Hydrogen Tank: Evaporation & Condensation at a Liquid/Vapor Interface

Science.gov (United States)

Stewart, Mark E. M.

2017-01-01

This paper presents an analysis and simulation of evaporation and condensation at a motionless liquid/vapor interface. A 1-D model equation, emphasizing heat and mass transfer at the interface, is solved in two ways, and incorporated into a subgrid interface model within a CFD simulation. Simulation predictions are compared with experimental data from the CPST Engineering Design Unit tank, a cryogenic fluid management test tank in 1-g. The numerical challenge here is the physics of the liquid/vapor interface; pressurizing the ullage heats it by several degrees, and sets up an interfacial temperature gradient that transfers heat to the liquid phase-the rate limiting step of condensation is heat conducted through the liquid and vapor. This physics occurs in thin thermal layers O(1 mm) on either side of the interface which is resolved by the subgrid interface model. An accommodation coefficient of 1.0 is used in the simulations which is consistent with theory and measurements. This model is predictive of evaporation/condensation rates, that is, there is no parameter tuning.

Thermodynamic modelling and kinetics of hydrogen absorption associated with phase transformations

International Nuclear Information System (INIS)

Gondor, G.; Lexcellent, Ch.

2007-01-01

The intermetallic are used for hydrogen pressure containers in order to avoid leaks in the case of an hybrid container. The hydrogen atoms are absorbed by the intermetallic which act as a hydrogen sponge. This hydrogen absorption must be modelled for the container design. The Pressure-composition isotherms describe the equilibrium. Out of this equilibrium the kinetics are controlled by different processes, without taking into account the phase transformations. The author presents a new model of the p-c isotherms with the hydrogen absorption kinetics. (A.L.B.)

Liquid hydrogen and deuterium targets; Cibles a hydrogene et deuterium liquides

Energy Technology Data Exchange (ETDEWEB)

Bougon, M; Marquet, M; Prugne, P [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

1961-07-01

A description is given of 1) Atmospheric pressure target: liquid hydrogen, 400 mm thickness; thermal insulation: styrofoam; the hydrogen vapors are used to improve the target cooling; Mylar windows. 2) Vacuum target: 12 liter content: hydrogen or deuterium; liquid thickness 400 mm; thermal insulation is afforded by a vacuum vessel and a liquid nitrogen shield. Recovery and liquefaction of deuterium vapors are managed in the vacuum vessel which holds the target. The target emptying system is designed for operating in a few minutes. (author) [French] Description de: 1) Cible a pression atmospherique; hydrogene liquide, 400 mm d'epaisseur; l'isolement thermique: styrofoam; on utilise les vapeurs d'hydrogene pour ameliorer le refroidissement de la cible; hublots en Mylar. 2) Cible sous vide; contenance 12 litres; hydrogene ou deuterium; epaisseur du liquide 400 mm; l'isolement thermique est assure par une cuve a vide et un ecran d'azote liquide. Recuperation et liquefaction des vapeurs de deuterium sont effectuees dans la cuve a vide contenant la cible. Le systeme de vidange pour la cible est concu pour fonctionner en quelques minutes. (auteur)

The study on binary Mg-Co hydrogen storage alloys with BCC phase

International Nuclear Information System (INIS)

Zhang Yao; Tsushio, Yoshinori; Enoki, Hirotoshi; Akiba, Etsuo

2005-01-01

Novel Mg-Co binary alloys were successfully synthesized by mechanical alloying. These alloys were studied by X-ray diffraction (XRD), transmission electron micrograph (TEM), pressure-composition-isotherms measurements (P-C-T) and differential scanning calorimetry (DSC). Both XRD Rietveld analysis and TEM observation confirmed that these binary alloys contain BCC phase and that the BCC phase existed in the range from 37 to 80 at.% Co. The lattice parameter of the BCC phase increased with the increase of the Co content from 37 to 50 at.%. When the Co content reached 50 at.%, the lattice parameter reached a maximum value, and then turned to decrease gradually with further increase of the Co content. Most of Mg-Co BCC alloys absorbed hydrogen at 373 K under 6 MPa of hydrogen pressure. The Mg 60 Co 40 alloy showed the highest hydrogen absorption capacity, about 2.7 mass% hydrogen. However, all the Mg-Co alloys studied did not desorb hydrogen at 373 K. By means of DSC measurements and in situ XRD analysis, it was found that under 4 MPa hydrogen atmosphere, Mg 50 Co 50 alloy transformed from BCC solid solution to Mg 2 CoH 5 tetragonal hydride at 413 K

Nuclear vapor thermal reactor propulsion technology

International Nuclear Information System (INIS)

Maya, I.; Diaz, N.J.; Dugan, E.T.; Watanabe, Y.; McClanahan, J.A.; Wen-Hsiung Tu; Carman, R.L.

1993-01-01

The conceptual design of a nuclear rocket based on the vapor core reactor is presented. The Nuclear Vapor Thermal Rocket (NVTR) offers the potential for a specific impulse of 1000 to 1200 s at thrust-to-weight ratios of 1 to 2. The design is based on NERVA geometry and systems with the solid fuel replaced by uranium tetrafluoride (UF 4 ) vapor. The closed-loop core does not rely on hydrodynamic confinement of the fuel. The hydrogen propellant is separated from the UF 4 fuel gas by graphite structure. The hydrogen is maintained at high pressure (∼100 atm), and exits the core at 3,100 K to 3,500 K. Zirconium carbide and hafnium carbide coatings are used to protect the hot graphite from the hydrogen. The core is surrounded by beryllium oxide reflector. The nuclear reactor core has been integrated into a 75 klb engine design using an expander cycle and dual turbopumps. The NVTR offers the potential for an incremental technology development pathway to high performance gas core reactors. Since the fuel is readily available, it also offers advantages in the initial cost of development, as it will not require major expenditures for fuel development

Synthesis of ZnO Nanowires via Hotwire Thermal Evaporation of Brass (CuZn Assisted by Vapor Phase Transport of Methanol

Directory of Open Access Journals (Sweden)

Tamil Many K. Thandavan

2014-01-01

Full Text Available Zinc oxide (ZnO nanowires (NWs were synthesized using vapor phase transport (VPT and thermal evaporation of Zn from CuZn. Time dependence of ZnO NWs growth was investigated for 5, 10, 15, 20, 25, and 30 minutes. Significant changes were observed from the field electron scanning electron microscopy (FESEM images as well as from the X-ray diffraction (XRD profile. The photoluminescence (PL profile was attributed to the contribution of oxygen vacancy, zinc interstitials, and hydrogen defects in the ZnO NWs. Raman scattering results show a significant peak at 143 cm−1 and possible functionalization on the wall of ZnO NWs. Growth of ZnO NWs in (0002 with an estimated distance between adjacent lattice planes 0.26 nm was determined from transmission electron microscopy (TEM analysis.

Melting diagram of hydrogen-deuterium solutions for pressures up to 100 atm

International Nuclear Information System (INIS)

Bereznyak, N.G.; Sheinina, A.A.

1985-01-01

Curves of the onset of melting of hydrogen-deuterium solutions of three different concentrations versus the vapor pressure up to ∼140 atm are measured. The topology of the melting diagram of H 2 --D 2 solutions at elevated pressures is determined. The isotope separation coefficients between the liquid and solid phases are calculated

Methods for calculation of engineering parameters for gas separation. [vapor pressure and solubility of gases in organic liquids

Science.gov (United States)

Lawson, D. D.

1979-01-01

A group additivity method is generated which allows estimation, from the structural formulas alone, of the energy of vaporization and the molar volume at 25 C of many nonpolar organic liquids. Using these two parameters and appropriate thermodynamic relations, the vapor pressure of the liquid phase and the solubility of various gases in nonpolar organic liquids are predicted. It is also possible to use the data to evaluate organic and some inorganic liquids for use in gas separation stages or liquids as heat exchange fluids in prospective thermochemical cycles for hydrogen production.

External fuel vaporization study, phase 2

Science.gov (United States)

Szetela, E. J.; Chiappetta, L.

1981-01-01

An analytical study was conducted to evaluate the effect of variations in fuel properties on the design of an external fuel vaporizaton system. The fuel properties that were considered included thermal stability, critical temperature, enthalpy a critical conditions, volatility, and viscosity. The design parameters that were evaluated included vaporizer weight and the impact on engine requirement such as maintenance, transient response, performance, and altitude relight. The baseline fuel properties were those of Jet A. The variation in thermal stability was taken as the thermal stability variation for Experimental Referee Broad Specification (ERBS) fuel. The results of the analysis indicate that a change in thermal stability equivalent to that of ERBS would increase the vaporization system weight by 20 percent, decrease oprating time between cleaning by 40 percent and make altitude relight more difficult. An increase in fuel critical temperature of 39 K would require a 40 percent increase in vaporization system weight. The assumed increase in enthalpy and volatility would also increase vaporizer weight by 40 percent and make altitude relight extremely difficult. The variation in fuel viscosity would have a negligible effect on the design parameters.

R-22 vapor explosions

International Nuclear Information System (INIS)

Anderson, R.P.; Armstrong, D.R.

1977-01-01

Previous experimental and theoretical studies of R-22 vapor explosions are reviewed. Results from two experimental investigations of vapor explosions in a medium scale R-22/water system are reported. Measurements following the drop of an unrestrained mass of R-22 into a water tank demonstrated the existence of two types of interaction behavior. Release of a constrained mass of R-22 beneath the surface of a water tank improved the visual resolution of the system thus allowing identification of two interaction mechansims: at low water temperatures, R-22/water contact would produce immediate violent boiling; at high water temperatures a vapor film formed around its R-22 as it was released, explosions were generated by a surface wave which initiated at a single location and propagated along the vapor film as a shock wave. A new vapor explosion model is proposed, it suggests explosions are the result of a sequence of three independent steps: an initial mixing phase, a trigger and growth phase, and a mature phase where a propagating shock wave accelerates the two liquids into a collapsing vapor layer causing a high velocity impact which finely fragments and intermixes the two liquids

The mechanism of vapor phase hydration of calcium oxide: implications for CO2 capture.

Science.gov (United States)

Kudłacz, Krzysztof; Rodriguez-Navarro, Carlos

2014-10-21

Lime-based sorbents are used for fuel- and flue-gas capture, thereby representing an economic and effective way to reduce CO2 emissions. Their use involves cyclic carbonation/calcination which results in a significant conversion reduction with increasing number of cycles. To reactivate spent CaO, vapor phase hydration is typically performed. However, little is known about the ultimate mechanism of such a hydration process. Here, we show that the vapor phase hydration of CaO formed after calcination of calcite (CaCO3) single crystals is a pseudomorphic, topotactic process, which progresses via an intermediate disordered phase prior to the final formation of oriented Ca(OH)2 nanocrystals. The strong structural control during this solid-state phase transition implies that the microstructural features of the CaO parent phase predetermine the final structural and physicochemical (reactivity and attrition) features of the product hydroxide. The higher molar volume of the product can create an impervious shell around unreacted CaO, thereby limiting the efficiency of the reactivation process. However, in the case of compact, sintered CaO structures, volume expansion cannot be accommodated in the reduced pore volume, and stress generation leads to pervasive cracking. This favors complete hydration but also detrimental attrition. Implications of these results in carbon capture and storage (CCS) are discussed.

Superconducting phases of phosphorus hydride under pressure. Stabilization by mobile molecular hydrogen

Energy Technology Data Exchange (ETDEWEB)

Bi, Tiange; Miller, Daniel P.; Shamp, Andrew; Zurek, Eva [Department of Chemistry, State University of New York, Buffalo, NY (United States)

2017-08-14

At 80 GPa, phases with the PH{sub 2} stoichiometry, which are composed of simple cubic like phosphorus layers capped with hydrogen atoms and layers of H{sub 2} molecules, are predicted to be important species contributing to the recently observed superconductivity in compressed phosphine. The electron-phonon coupling in these phases results from the motions of the phosphorus atoms and the hydrogen atoms bound to them. The role of the mobile H{sub 2} layers is to decrease the Coulomb repulsion between the negatively charged hydrogen atoms capping the phosphorus layers. An insulating PH{sub 5} phase, the structure and bonding of which is reminiscent of diborane, is also predicted to be metastable at this pressure. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

A study of hydrogen permeation in aluminum alloy treated by various oxidation processes

International Nuclear Information System (INIS)

Song Wenhai; Long Bin

1997-01-01

A set of oxide coatings was formed on the surface of an Al alloy (wt%: Fe, 0.24; Si, 1.16; Cu, 0.05-0.2; Zn, 0.1; Al, residual) by means of various oxidation processes. The hydrogen permeability through the aluminum alloy and its coating materials was determined by a vapor phase permeation technique at temperatures ranging from 400 to 500 C using high-purity H 2 (99.9999%) gas with an upstream hydrogen pressure of 10 4 -10 5 Pa. The experimental results show that the hydrogen permeability through aluminum oxide coating is 100-2000 times lower than that through the aluminum alloy substrate. This means that the aluminum oxide is a significant hydrogen permeation barrier. A high hydrogen permeation resistance was observed in an oxide layer prefilmed in 200 C water, while an anodized aluminum oxide film had a less obstructive effect, possibly caused by the porous structure of the anodic oxide. The hydrogen permeability through films of aluminum oxide was not a simple function of the aluminum-oxide phase configuration. (orig.)

Critical overview on water - hydrogen isotopic exchange; a case study

International Nuclear Information System (INIS)

Peculea, Marius

2002-01-01

Water - hydrogen isotopic exchange process is attractive due to its high separation factor; it is neither corrosive or pollutant and, when used as a technological process of heavy water production, it requires water as raw material. Its efficiency depends strongly on the catalyst performance and geometry of the isotopic water - hydrogen exchange zone in which the isotopic transfer proceeds in two steps: liquid vapor distillation in the presence of an inert gas and a catalytic reaction in vapor - gas gaseous phase. An overview of the water hydrogen isotopic exchange is presented and technological details of the Trail - Canada facility as well as characteristics of the two pilots operated in Romania with Ni, Cr and hydrophobic catalysts are described. The mathematical approach of the successive water-water vapor-hydrogen isotopic exchange process given is based on a mathematical model worked out earlier by Palibroda. Discrepancies between computation and experimental results, lower than 11% for extreme cases and around 6% for the average range are explained as due to the ratio of the exchange potentials. Assumption is made in the theoretical approach that this ratio is positive and constant all long the column while the measurements showed that it varies within 0.7 and 1.1 at the upper end and within - 2.5 and - 4.4 at the lower end, what indicates a strong end effect. In conclusion it is stressed that a competing technological solution is emerging based on a monothermal electrolytic process or a bithermal - bibaric process both for heavy water and tritium separation process

Recent Advances in Atmospheric Vapor-Phase Deposition of Transparent and Conductive Zinc Oxide

NARCIS (Netherlands)

Illiberi, A.; Poodt, P.; Roozeboom, F.

2014-01-01

The industrial need for high-throughput and low-cost ZnO deposition processes has triggered the development of atmospheric vapor-phase deposition techniques which can be easily applied to continuous, in-line manufacturing. While atmospheric CVD is a mature technology, new processes for the growth of

Availability of MCNP and MATLAB for reconstructing the water-vapor two-phase flow pattern in neutron radiography

International Nuclear Information System (INIS)

Feng Qixi; Feng Quanke; Takeshi, K.

2008-01-01

The China Advanced Research Reactor (CARR) is scheduled to be operated in the autumn of 2008. In this paper, we report preparations for installing the neutron radiography instrument (NRI) and for utilizing it efficiently. The 2-D relative neutron intensity profiles for the water-vapor two-phase flow inside the tube were obtained using the MCNP code without influence of γ-ray and electronic-noise. The MCNP simulation of the 2-D neutron intensity profile for the water-vapor two-phase flow was demonstrated. The simulated 2-D neutron intensity profiles could be used as the benchmark data base by calibrating part of the data measured by the CARR-NRI. The 3-D objective images allow us to understand the flow pattern more clearly and it is reconstructed using the MATLAB through the threshold transformation techniques. And thus it is concluded that the MCNP code and the MATLAB are very useful for constructing the benchmark data base for the investigation of the water-vapor two-phase flow using the CARR-NRI. (authors)

Thermal Design of Vapor Cooling of Flight Vehicle Structures Using LH2 Boil-Off

Science.gov (United States)

Wang, Xiao-Yen; Zoeckler, Joseph

2015-01-01

Using hydrogen boil-off vapor to cool the structure of a flight vehicle cryogenic upper stage can reduce heat loads to the stage and increase the usable propellant in the stage or extend the life of the stage. The hydrogen vapor can be used to absorb incoming heat as it increases in temperature before being vented overboard. In theory, the amount of heat leaking into the hydrogen tank from the structure will be reduced if the structure is cooled using the propellant boil-off vapor. However, the amount of boil-off vapor available to be used for cooling and the reduction in heat leak to the propellant tank are dependent to each other. The amount of heat leak reduction to the LH2 tank also depends on the total heat load on the stage and the vapor cooling configurations.

Effect of growth conditions on the biodegradation kinetics of toluene by P. putida 54G in a vapor phase bioreactor

International Nuclear Information System (INIS)

Mirpuri, R.; Jones, W.; Krieger, E.; McFeters, G.

1994-01-01

Biodegradation of volatile organic compounds such as petroleum hydrocarbons and xenobiotic agents in the vapor phase is a promising new concept in well-head and end-of-pipe treatment which may have wide application where in-situ approaches are not feasible. The microbial degradation of the volatile organics can be carried out in vapor phase bioreactors which contain inert packing materials. Scale-up of these reactors from a bench scale to a pilot plant can best be achieved by the use of a predictive model, the success of which depends on accurate estimates of parameters defined in the model such as biodegradation kinetic and stoichiometric coefficients. The phenomena of hydrocarbon stress and injury may also affect performance of a vapor phase bioreactor. Batch kinetic studies on the biodegradation of toluene by P. Putida 54G will be compared to those obtained from continuous culture studies for both suspended and biofilm cultures of the same microorganism. These results will be compared to the activity of the P. putida 54G biofilm in a vapor phase bioreactor to evaluate the impact of hydrocarbon stress and injury on biodegradative processes

Hydrogen production by high-temperature electrolysis of water vapor steam. Test results obtained with an electrolysis tube

International Nuclear Information System (INIS)

Hino, Ryutaro; Miyamoto, Yoshiaki

1995-01-01

High-temperature electrolysis of water vapor steam is an advanced hydrogen production process decomposing high temperature steam up to 1,000degC, which applies an electro-chemical reaction reverse to the solid oxide fuel cell. At Japan Atomic Energy Research Institute, laboratory-scale experiments have been conducted using a practical electrolysis tube with 12 electrolysis cells in order to develop heat utilization systems for high-temperature gas-cooled reactors. The electrolysis cells of which electrolyte was yttria-stabilized zirconia were formed on a porous ceramic tube in series by plasma spraying. In the experiments, water steam mixed with argon carrier gas was supplied into the electrolysis tube heated at a constant temperature regulated in the range from 850degC to 950degC, and electrolysis power was supplied by a DC power source. Hydrogen production rate increased with applied voltage and electrolysis temperature; the maximum production rate was 6.9Nl/h at 950degC. Hydrogen production rate was correlated with applied current densities on the basis of experimental data. High energy efficiency was achieved under the applied current density ranging from 80 to 100 mA/cm 2 . (author)

Hydrogen production by aqueous phase catalytic reforming of glycerine

International Nuclear Information System (INIS)

Ozguer, Derya Oncel; Uysal, Bekir Zuehtue

2011-01-01

Hydrogen is believed to be the one of the main energy carriers in the near future. In this research glycerine, which is produced in large quantities as a by-product of biodiesel process, was converted to hydrogen aiming to contribute to clean energy initiative. Conversion of glycerol to hydrogen was achieved via aqueous-phase reforming (APR) with Pt/Al 2 O 3 catalyst. The experiments were carried out in an autoclave reactor and a continuous fixed-bed reactor. The effects of reaction temperature (160-280 o C), feed flow rate (0.05-0.5 mL/dak) and feed concentration (5-85 wt-% glycerine) on product distribution were investigated. Optimum temperature for hydrogen production with APR was determined as 230 o C. Maximum gas production rate was found at the feed flow rates around 0.1 mL/min. It was also found that hydrogen concentration in the gas product increased with decreasing glycerol concentration in the feed.

Li vaporization property of two-phase material of Li{sub 2}TiO{sub 3} and Li{sub 2}SiO{sub 3} for tritium breeder

Energy Technology Data Exchange (ETDEWEB)

Ogawa, Seiya [Course of Mechanical Engineering, Graduate School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Masuko, Yuki; Kato, Hirokazu; Yuyama, Hayato; Sakai, Yutaro [Department of Prime Mover Engineering, School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Niwa, Eiki; Hashimoto, Takuya [Department of Physics, College of Humanities and Sciences, Nihon University, 3-8-1 Sakurajousui, Setagaya-ku, Tokyo 156-8550 (Japan); Mukai, Keisuke [Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 7-3-1 Bunkyo-ku, Tokyo 113-8656 (Japan); Hosino, Tsuyoshi [Breeding Functional Materials Development Group, Department of Blanket Systems Research, Rokkasho Fusion Institute, Sector of Fusion Research and Development, Japan Atomic Energy Agency, 2-166 Obuch, Omotedate, Rokkasho-mura, Kamikita-gun, Aomori 039-3212 (Japan); Sasaki, Kazuya, E-mail: k_sasaki@tokai-u.jp [Course of Mechanical Engineering, Graduate School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Department of Prime Mover Engineering, School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Course of Mechanical Engineering and Aeronautics and Astronautics, Graduate School of Science and Technology, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan)

2015-10-15

Highlights: • We synthesized two phase materials based on Li{sub 2}SiO{sub 3} and Li{sub 2}TiO{sub 3}. • We investigated the Li vaporization property of the two-phase materials. • Li vaporization occurs significantly from only Li{sub 2}SiO{sub 3} grains in the vicinity of the surface of the pellets. • The Li vaporization is remarkable only for an early short time for the vaporization from Li{sub 2}SiO{sub 3} grains at the vicinity of the surface. • The second stable phase added functions effectively for inhibition of the Li vaporization. - Abstract: Li vaporization property of two-phase materials of Li{sub 2}TiO{sub 3} and Li{sub 2}SiO{sub 3} in a working condition for the solid tritium breeder used in the demonstration power plant of fusion reactor was investigated, and the suppression mechanism of the vaporization was considered. The Li vaporization rate from the specimen pellet was measured by gravimetric method, and the change of Li concentration distribution in the pellet was analyzed by time-of-flight secondary ion mass spectrometer. Li was vaporized only from the Li{sub 2}SiO{sub 3} at the vicinity of the surface of the pellet. The remarkable vaporization of Li arose only in an early short time. The inhibition of the vaporization from the Li{sub 2}SiO{sub 3} was successful by adding the small amount of the stable secondary phase of Li{sub 2}TiO{sub 3}.

Phase transition and hydrogen storage properties of Mg–Ga alloy

International Nuclear Information System (INIS)

Wu, Daifeng; Ouyang, Liuzhang; Wu, Cong; Wang, Hui; Liu, Jiangwen; Sun, Lixian; Zhu, Min

2015-01-01

Highlights: • A fully reversible transformation in Mg–Ga–H system with reduced dehydrogenation enthalpy is realized. • The mechanism of phase transformation in the de/hydrogenation of Mg–Ga alloy is revealed. • The de/hydrogenation process of Mg 5 Ga 2 compound is expressed as: Mg 5 Ga 2 + H 2 ↔ 2Mg 2 Ga + MgH 2 . - Abstract: Mg-based alloys are viewed as one of the most promising candidates for hydrogen storage; however, high desorption temperature and the sluggish kinetics of MgH 2 hinder their practical application. Alloying and changing the reaction pathway are effective methods to solve these issues. As the solid solubility of Ga in Mg is 5 wt% at 573 K, the preparation of a Mg(Ga) solid solution at relatively high temperatures was designed in this paper. The phase transition and hydrogen storage properties of the MgH 2 and Mg 5 Ga 2 composite (hereafter referred to as Mg–Ga alloy) were investigated by X-ray diffraction (XRD), pressure–composition-isotherm (PCI) measurements, and differential scanning calorimetry (DSC). The reversible hydrogen storage capacity of Mg–Ga alloy is 5.7 wt% H 2 . During the dehydrogenation process of Mg–Ga alloy, Mg 2 Ga reacts with MgH 2 , initially releasing H 2 and forming Mg 5 Ga 2 ; subsequently, MgH 2 decomposes into Mg with further release of H 2 . The phase transition mechanism of the Mg 5 Ga 2 compound during the dehydrogenation process was also investigated by using in situ XRD analysis. In addition, the dehydrogenation enthalpy and entropy changes, and the apparent activation energy were also calculated

Isotopic analysis of H2, HD, D2 mixtures and analysis of ortho-para-hydrogen mixtures by gas chromatography

International Nuclear Information System (INIS)

Botter, F.; Perriere, G. de la; Tistchenko, S.

1961-01-01

This communication describes the present situation concerning the possibilities of vapor phase chromatography for the separation and analysis of mixtures of H 2 , HD and D 2 and of ortho- and para-hydrogen mixtures. Separation factors for physical adsorption of the various varieties of hydrogen have been deduced from chromatograms and have also been measured directly with a static method - the agreements is good. (author) [fr

High flux diode packaging using passive microscale liquid-vapor phase change

Science.gov (United States)

Bandhauer, Todd; Deri, Robert J.; Elmer, John W.; Kotovsky, Jack; Patra, Susant

2017-09-19

A laser diode package includes a heat pipe having a fluid chamber enclosed in part by a heat exchange wall for containing a fluid. Wicking channels in the fluid chamber is adapted to wick a liquid phase of the fluid from a condensing section of the heat pipe to an evaporating section of the heat exchanger, and a laser diode is connected to the heat exchange wall at the evaporating section of the heat exchanger so that heat produced by the laser diode is removed isothermally from the evaporating section to the condensing section by a liquid-to-vapor phase change of the fluid.

Mechanisms of dispersion during liquid hydrogen leakage

International Nuclear Information System (INIS)

Proust, C.; Gaston, D.

2000-01-01

INERIS conducts research programs with a mission of assessing and preventing accidental and chronic risks to people and the environment due to industrial plants, chemical substances and underground operation. This paper is a study of the dispersion mechanism of cryogenic hydrogen and the mechanisms of flame propagation in clouds of hydrogen. The objective is to contribute to the industrial control implementation of significant storage of hydrogen liquid that has pressure close to the atmospheric pressure. Within the framework of this program, the only interest is with the risk presented by escape of significant flow. This corresponds to accidental ruptures in tanks. The following four phases are looked at: the escape incident and the determination of the leak flow; the formation of the liquid layer and the vaporization of the hydrogen; the formation of the Hydrogen cloud in air; and the explosive ignition in the atmosphere, propagation of the explosive flame and evaluation of the pressure wave. This situation has been limited to dispersion in free air and does not consider the impact of containment

Substrate-induced phase of a [1]benzothieno[3,2-b]benzothiophene derivative and phase evolution by aging and solvent vapor annealing.

Science.gov (United States)

Jones, Andrew O F; Geerts, Yves H; Karpinska, Jolanta; Kennedy, Alan R; Resel, Roland; Röthel, Christian; Ruzié, Christian; Werzer, Oliver; Sferrazza, Michele

2015-01-28

Substrate-induced phases (SIPs) are polymorphic phases that are found in thin films of a material and are different from the single crystal or "bulk" structure of a material. In this work, we investigate the presence of a SIP in the family of [1]benzothieno[3,2-b]benzothiophene (BTBT) organic semiconductors and the effect of aging and solvent vapor annealing on the film structure. Through extensive X-ray structural investigations of spin coated films, we find a SIP with a significantly different structure to that found in single crystals of the same material forms; the SIP has a herringbone motif while single crystals display layered π-π stacking. Over time, the structure of the film is found to slowly convert to the single crystal structure. Solvent vapor annealing initiates the same structural evolution process but at a greatly increased rate, and near complete conversion can be achieved in a short period of time. As properties such as charge transport capability are determined by the molecular structure, this work highlights the importance of understanding and controlling the structure of organic semiconductor films and presents a simple method to control the film structure by solvent vapor annealing.

Neutronographic measurements of the motion of hydrogen and hydrogeneous substances in liquids and solids

International Nuclear Information System (INIS)

Zeilinger, A.; Pochman, W.A.; Rauch, H.; Suleiman, M.

1976-01-01

Earlier measurements of hydrogen motion in liquids by neutron radiography have been extended to obtain additional parameters of governing the mixing behavior of light and heavy water. Furthermore motion of water in concrete was measured leading to a determination of (1) the vapor diffusion coefficient of water in concrete, (2) the porosity of the concrete, and (3) the mass transfer coefficient of vapor from the concrete to the environment. Recently the ability of neutron radiography to measure the hydrogen motion in metals was demonstrated and the diffusion coefficients of hydrogen in V, Ta, Nb and beta-Ti was determined. In addition, some work on resolution measurements of neutron radiography will be reported. (author)

Synthesis of TiO2 Nanoparticles from Ilmenite Through the Mechanism of Vapor-Phase Reaction Process by Thermal Plasma Technology

Science.gov (United States)

Samal, Sneha

2017-11-01

Synthesis of nanoparticles of TiO2 was carried out by non-transferred arc thermal plasma reactor using ilmenite as the precursor material. The powder ilmenite was vaporized at high temperature in plasma flame and converted to a gaseous state of ions in the metastable phase. On cooling, chamber condensation process takes place on recombination of ions for the formation of nanoparticles. The top-to-bottom approach induces the disintegration of complex ilmenite phases into simpler compounds of iron oxide and titanium dioxide phases. The vapor-phase reaction mechanism was carried out in thermal plasma zone for the synthesis of nanoparticles from ilmenite compound in a plasma reactor. The easy separation of iron particles from TiO2 was taken place in the plasma chamber with deposition of light TiO2 particles at the top of the cooling chamber and iron particles at the bottom. The dissociation and combination process of mechanism and synthesis are studied briefly in this article. The product TiO2 nanoparticle shows the purity with a major phase of rutile content. TiO2 nanoparticles produced in vapor-phase reaction process shows more photo-induced capacity.

Tritium removal by hydrogen isotopic exchange between hydrogen gas and water on hydrophobic catalyst

International Nuclear Information System (INIS)

Morishita, T.; Isomura, S.; Izawa, H.; Nakane, R.

1980-01-01

Many kinds of the hydrophobic catalysts for hydrogen isotopic exchange between hydrogen gas and water have been prepared. The carriers are the hydrophobic organic materials such as polytetrafluoroethylene(PTFE), monofluorocarbon-PTFE mixture(PTFE-FC), and styrene-divinylbenzene copolymer(SDB). 0.1 to 2 wt % Pt is deposited on the carriers. The Pt/SDB catalyst has much higher activity than the Pt/PTFE catalyst and the Pt/PTFE-FC catalyst shows the intermediate value of catalytic activity. The observation of electron microscope shows that the degrees of dispersion of Pt particles on the hydrophobic carriers result in the difference of catalytic activities. A gas-liquid separated type column containing ten stages is constructed. Each stage is composed of both the hydrophobic catalyst bed for the hydrogen gas/water vapor isotopic exchange and the packed column type bed for the water vapor/liquid water isotopic exchange. In the column hydrogen gas and water flow countercurrently and hydrogen isotopes are separated

Compact Raman Lidar Measurement of Liquid and Vapor Phase Water Under the Influence of Ionizing Radiation

Directory of Open Access Journals (Sweden)

Shiina Tatsuo

2016-01-01

Full Text Available A compact Raman lidar has been developed for studying phase changes of water in the atmosphere under the influence of ionization radiation. The Raman lidar is operated at the wavelength of 349 nm and backscattered Raman signals of liquid and vapor phase water are detected at 396 and 400 nm, respectively. Alpha particles emitted from 241Am of 9 MBq ionize air molecules in a scattering chamber, and the resulting ions lead to the formation of liquid water droplets. From the analysis of Raman signal intensities, it has been found that the increase in the liquid water Raman channel is approximately 3 times as much as the decrease in the vapor phase water Raman channel, which is consistent with the theoretical prediction based on the Raman cross-sections. In addition, the radius of the water droplet is estimated to be 0.2 μm.

Phase Transformation and Hydrogen Storage Properties of an La7.0Mg75.5Ni17.5 Hydrogen Storage Alloy

Directory of Open Access Journals (Sweden)

Lin Hu

2017-10-01

Full Text Available X-ray diffraction showed that an La7.0Mg75.5Ni17.5 alloy prepared via inductive melting was composed of an La2Mg17 phase, an LaMg2Ni phase, and an Mg2Ni phase. After the first hydrogen absorption/desorption process, the phases of the alloy turned into an La–H phase, an Mg phase, and an Mg2Ni phase. The enthalpy and entropy derived from the van’t Hoff equation for hydriding were −42.30 kJ·mol−1 and −69.76 J·K−1·mol−1, respectively. The hydride formed in the absorption step was less stable than MgH2 (−74.50 kJ·mol−1 and −132.3 J·K−1·mol−1 and Mg2NiH4 (−64.50 kJ·mol−1 and −123.1 J·K−1·mol−1. Differential thermal analysis showed that the initial hydrogen desorption temperature of its hydride was 531 K. Compared to Mg and Mg2Ni, La7.0Mg75.5Ni17.5 is a promising hydrogen storage material that demonstrates fast adsorption/desorption kinetics as a result of the formation of an La–H compound and the synergetic effect of multiphase.

Fluid phases of hydrogen-bound states and thermodynamical properties

International Nuclear Information System (INIS)

Ebeling, W.; Kraeft, W.D.

1985-08-01

The fluid phases of hydrogen and especially the existence of two critical points, the density dependence of the two - particle states and the effective interactions are discussed. An effective Schroedinger equation and a Saha equation are given. (author)

Hydrogen Outgassing from Lithium Hydride

Energy Technology Data Exchange (ETDEWEB)

Dinh, L N; Schildbach, M A; Smith, R A; Balazs1, B; McLean II, W

2006-04-20

Lithium hydride is a nuclear material with a great affinity for moisture. As a result of exposure to water vapor during machining, transportation, storage and assembly, a corrosion layer (oxide and/or hydroxide) always forms on the surface of lithium hydride resulting in the release of hydrogen gas. Thermodynamically, lithium hydride, lithium oxide and lithium hydroxide are all stable. However, lithium hydroxides formed near the lithium hydride substrate (interface hydroxide) and near the sample/vacuum interface (surface hydroxide) are much less thermally stable than their bulk counterpart. In a dry environment, the interface/surface hydroxides slowly degenerate over many years/decades at room temperature into lithium oxide, releasing water vapor and ultimately hydrogen gas through reaction of the water vapor with the lithium hydride substrate. This outgassing can potentially cause metal hydriding and/or compatibility issues elsewhere in the device. In this chapter, the morphology and the chemistry of the corrosion layer grown on lithium hydride (and in some cases, its isotopic cousin, lithium deuteride) as a result of exposure to moisture are investigated. The hydrogen outgassing processes associated with the formation and subsequent degeneration of this corrosion layer are described. Experimental techniques to measure the hydrogen outgassing kinetics from lithium hydride and methods employing the measured kinetics to predict hydrogen outgassing as a function of time and temperature are presented. Finally, practical procedures to mitigate the problem of hydrogen outgassing from lithium hydride are discussed.

Modelling and numerical simulation of liquid-vapor phase transitions; Modelisation et simulation numerique des transitions de phase liquide-vapeur

Energy Technology Data Exchange (ETDEWEB)

Caro, F

2004-11-15

This work deals with the modelling and numerical simulation of liquid-vapor phase transition phenomena. The study is divided into two part: first we investigate phase transition phenomena with a Van Der Waals equation of state (non monotonic equation of state), then we adopt an alternative approach with two equations of state. In the first part, we study the classical viscous criteria for selecting weak solutions of the system used when the equation of state is non monotonic. Those criteria do not select physical solutions and therefore we focus a more recent criterion: the visco-capillary criterion. We use this criterion to exactly solve the Riemann problem (which imposes solving an algebraic scalar non linear equation). Unfortunately, this step is quite costly in term of CPU which prevent from using this method as a ground for building Godunov solvers. That is why we propose an alternative approach two equations of state. Using the least action principle, we propose a phase changing two-phase flow model which is based on the second thermodynamic principle. We shall then describe two equilibrium submodels issued from the relaxations processes when instantaneous equilibrium is assumed. Despite the weak hyperbolicity of the last sub-model, we propose stable numerical schemes based on a two-step strategy involving a convective step followed by a relaxation step. We show the ability of the system to simulate vapor bubbles nucleation. (author)

Structural and morphological characterization of fullerite crystals prepared from the vapor phase

International Nuclear Information System (INIS)

Haluska, M.; Fejdi, P.; Vybornov, M.; Kuzmany, H.

1993-01-01

Crystal structure, habits and surface structures of fullerite crystals prepared from vapor phase were characterized by X-ray analysis, interfacial angle measurements and optical and scanning electron microscopy (SEM). The study of selected C 60 crystals confirmed the fcc structure at room temperature. The crystal habit is determined by two types of morphological faces, namely {100} and {111}. SEM was used for the observation of thermal etched surfaces. (orig.)

High-quality single crystalline NiO with twin phases grown on sapphire substrate by metalorganic vapor phase epitaxy

Directory of Open Access Journals (Sweden)

Kazuo Uchida

2012-12-01

Full Text Available High-quality single crystalline twin phase NiO grown on sapphire substrates by metalorganic vapor phase epitaxy is reported. X-ray rocking curve analysis of NiO films grown at different temperatures indicates a minimum full width at half maximum of the cubic (111 diffraction peak of 0.107° for NiO film grown at as low as 550 °C. Detailed microstructural analysis by Φ scan X-ray diffraction and transmission electron microscopy reveal that the NiO film consists of large single crystalline domains with two different crystallographic orientations which are rotated relative to each other along the [111] axis by 60°. These single crystal domains are divided by the twin phase boundaries.

Hydrogen production through aqueous-phase reforming of ethylene glycol in a washcoated microchannel

NARCIS (Netherlands)

Neira d'Angelo, M.F.; Ordomskiy, V.; Paunovic, V.; Schaaf, van der J.; Schouten, J.C.; Nijhuis, T.A.

2013-01-01

Aqueous-phase reforming (APR) of biocarbohydrates is conducted in a catalytically stable washcoated microreactor where multiphase hydrogen removal enhances hydrogen efficiency. Single microchannel experiments are conducted following a simplified model based on the microreactor concept. A coating

Thermodynamics of the uranium (α, β and γ phases)-hydrogen system

International Nuclear Information System (INIS)

Northrup, C.J.M. Jr.

1975-01-01

Pressure-composition isotherms have been obtained for the uranium-hydrogen system over the pressure range from 0.1 to 680 atmospheres at temperatures ranging from 450 to 846 0 C. The hydride (delta) was formed from high purity uranium and pressure--temperature plots were obtained for the (U/sub alpha/, delta), (U/sub beta/, delta), (U/sub gamma/, delta) two phase regions. Results of the investigation indicate that in contrast to the work of Chevallier, Spitz, and Blum [Chevallier et al., Acad. Sci., 264: 96(1967)], the uranium-hydrogen system retains broad, flat, two phase plateaus on the pressure-composition isotherms to temperatures as high as 846 0 C. The effect of oxygen impurities is noted and it was found that the enthalpy of formation of the hydride from pure uranium was -28.9 kcal mol -1 . The three dimensional phase diagram for the system is discussed and the gas-liquid, gas-solid interface is given delineating the known phase boundaries. (U.S.)

Raman study of vibrational dynamics of aminopropylsilanetriol in gas phase

Science.gov (United States)

Volovšek, V.; Dananić, V.; Bistričić, L.; Movre Šapić, I.; Furić, K.

2014-01-01

Raman spectrum of aminopropylsilanetriol (APST) in gas phase has been recorded at room temperature in macro chamber utilizing two-mirror technique over the sample tube. Unlike predominantly trans molecular conformation in condensed phase, the spectra of vapor show that the molecules are solely in gauche conformation with intramolecular hydrogen bond N⋯Hsbnd O which reduces the molecular energy in respect to trans conformation by 0.152 eV. The assignment of the molecular spectra based on the DFT calculation is presented. The strong vibrational bands at 354 cm-1, 588 cm-1 and 3022 cm-1 are proposed for verifying the existence of the ring like, hydrogen bonded structure. Special attention was devoted to the high frequency region, where hydrogen bond vibrations are coupled to stretchings of amino and silanol groups.

Transport properties of fission product vapors

International Nuclear Information System (INIS)

Im, K.H.; Ahluwalia, R.K.

1983-07-01

Kinetic theory of gases is used to calculate the transport properties of fission product vapors in a steam and hydrogen environment. Provided in tabular form is diffusivity of steam and hydrogen, viscosity and thermal conductivity of the gaseous mixture, and diffusivity of cesium iodide, cesium hydroxide, diatomic tellurium and tellurium dioxide. These transport properties are required in determining the thermal-hydraulics of and fission product transport in light water reactors

Muonium formation and the 'missing fraction' in vapors

International Nuclear Information System (INIS)

Fleming, D.G.; Arseneau, D.J.; Garner, D.M.; Senba, M.; Mikula, R.J.

1983-06-01

The vapor phase fractional polarizations of positive muons thermalizing as the muonium atom (Psub(M)) and in diamagnetic environments (Psub(D)) has been measured in H 2 O, CH 3 OH, C 6 H 14 , C 6 H 12 , CCl 4 , CHCl 3 , CH 2 Cl 2 and TMS, in order to compare with the corresponding fractions measured in the condensed phases. There is a marked contrast in every case, with the vapor phase results being largely understandable in terms of a charge exchange/hot atom model. Unlike the situation in the corresponding liquids, there is no permanent lost fraction in the vapor phase in the limit of even moderately high pressures (approximately 1 atm); at lower pressures, depolarization is due to hyperfine mixing and is believed to be well understood. For vapor phase CH 3 OH, C 6 H 14 , C 6 H 12 , and TMS the relative fractions are found to be pressure dependent, suggesting the importance of termolecular hot atom (or ion) reactions in the slowing-down process. For vapor phase H 2 O and the chloromethanes, the relative fractions are pressure independent. For CCl 4 , Psub(M) = Psub(D) approximately 0.5 in the vapor phase vs. Psub(D) = 1.0 in the liquid phase; fast thermal reactions of Mu likely contribute significantly to this difference in the liquid phase. For H 2 O, Psub(M) approximately 0.9 and Psub(D) approximately 0.1 in the vapor phase vs. Psub(D) approximately 0.6 and Psub(M) approximately 0.2 in the liquid phase. Water appears to be the one unequivocal case where the basic charge exchange/hot atom model is inappropriate in the condensed phase, suggesting, therefore, that radiation-induced 'spur' effects play a major role

A high intensity Stern-Gerlach polarized hydrogen source for the Munich MP-Tandem laboratory using ECR ionization and charge exchange in cesium vapor

International Nuclear Information System (INIS)

Hertenberger, R.; Eisermann, Y.; Metz, A.; Schiemenz, P.; Graw, G.

2001-01-01

The 14 year old Lamb-Shift hydrogen source of the Munich Tandem laboratory is presently replaced by a newly developed Stern-Gerlach type atomic beam source (ABS) with electron-cyclotron-resonance (ECR) ionization and subsequent double charge exchange in a supersonic cesium vapor jet target. The atomic beam source provides an intensity of 6.4*10 16 atoms/sec of polarized hydrogen and of about 5*10 16 atoms/sec of polarized deuterium. Beam intensities larger than 100 μA were observed for positive H-vector + and D-vector + ion beams after ECR ionization and intensities larger than 10 μA for negative D-vector - ion beams in three magnetic substates

Gas Phase Fabrication of Pd-Ni Nanoparticle Arrays for Hydrogen Sensor Applications

Directory of Open Access Journals (Sweden)

Peng Xing

2015-01-01

Full Text Available Pd-Ni nanoparticles have been fabricated by gas aggregation process. The formation of Pd-Ni nano-alloys was confirmed by X-ray photoelectron spectroscopy measurements. By depositing Pd-Ni nanoparticles on the interdigital electrodes, quantum conductance-based hydrogen sensors were fabricated. The Ni content in the nanoparticle showed an obvious effect on the hydrogen response behavior corresponding to the conductance change of the nanoparticle film. Three typical response regions with different conductance-hydrogen pressure correlations were observed. It was found that the α-β phase transition region of palladium hydride moves to significant higher hydrogen pressure with the addition of nickel element, which greatly enhance the hydrogen sensing performance of the nanoparticle film.

Dynamic\tmodelling of catalytic three-phase reactors for hydrogenation and oxidation processes

Directory of Open Access Journals (Sweden)

Salmi T.

2000-01-01

Full Text Available The dynamic modelling principles for typical catalytic three-phase reactors, batch autoclaves and fixed (trickle beds were described. The models consist of balance equations for the catalyst particles as well as for the bulk phases of gas and liquid. Rate equations, transport models and mass balances were coupled to generalized heterogeneous models which were solved with respect to time and space with algorithms suitable for stiff differential equations. The aspects of numerical solution strategies were discussed and the procedure was illustrated with three case studies: hydrogenation of aromatics, hydrogenation of aldehydes and oxidation of ferrosulphate. The case studies revealed the importance of mass transfer resistance inside the catalyst pallets as well as the dynamics of the different phases being present in the reactor. Reliable three-phase reactor simulation and scale-up should be based on dynamic heterogeneous models.

Phase diagram of interfacial growth modes by vapor deposition and its application for ZnO nanostructures

Science.gov (United States)

Shu, Da-Jun; Xiong, Xiang; Liu, Ming; Wang, Mu

2017-09-01

Interfacial growth from vapor has been extensively studied. However, a straightforward picture of the growth mode under different growth conditions is still lacking. In this paper, we develop a comprehensive interfacial growth theory based on the stochastic approach. Using a critical interisland separation, we construct a general phase diagram of the growth modes. It has been revealed that if the Ehrlich-Schwoebel barrier EES is smaller than a critical value, the interfacial growth proceeds in a layer-by-layer (LBL) mode at any deposition rate. However, if EES is larger than the critical value, LBL growth occurs only at very small or very large deposition rates relative to the intralayer hopping rate, and multilayer (ML) growth occurs at a moderate deposition rate. Experiments with zinc oxide growth by chemical vapor deposition have been designed to qualitatively demonstrate the theoretical model. By changing the flux of the carrier gas (nitrogen gas) in chemical vapor deposition, we realize LBL, ML, and then reentrance of LBL homoepitaxial growth of ZnO successively. Moreover, we find that surface kinetics of ZnO is suppressed by decreasing oxygen partial pressure by comparing the experimental observations and theoretical models, which is supported by our recent first-principles calculations. Since the influence of the substrate and the growth species on growth can approximately be represented by binding energy and surface kinetics, we suggest that the phase diagram is essential for interfacial growth of different materials by vapor deposition.

Method for absorbing hydrogen using an oxidation resisant organic hydrogen getter

Science.gov (United States)

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

2009-02-03

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

Efficient Production of Hydrogen from Decomposition of Formic Acid over Zeolite Incorporated Gold Nanoparticles

DEFF Research Database (Denmark)

Gallas-Hulin, Agata; Mielby, Jerrik Jørgen; Kegnæs, Søren

2016-01-01

Formic acid has a great potential as a safe and convenient source of hydrogen for sustainable chemical synthesis and renewable energy storage. Here, we report a heterogeneous gold nanoparticles catalyst for efficient production of hydrogen from vapor phase decomposition of formic acid using zeolite...... incorporated gold nanoparticles. The catalyst is prepared by pressure assisted impregnation and reduction (PAIR), which results in a uniform distribution of small gold nanoparticles that are incorporated into zeolite silicalite-1 crystals. Consequently, the incorporated nanoparticles exhibit increased...... sintering stability. Based on these results, we believe that incorporation of metal nanoparticles in zeolites may find use as highly active and selective heterogeneous catalysts for the production of hydrogen in future renewable energy applications....

New mechanism for autocatalytic decomposition of H2CO3 in the vapor phase.

Science.gov (United States)

Ghoshal, Sourav; Hazra, Montu K

2014-04-03

In this article, we present high level ab initio calculations investigating the energetics of a new autocatalytic decomposition mechanism for carbonic acid (H2CO3) in the vapor phase. The calculation have been performed at the MP2 level of theory in conjunction with aug-cc-pVDZ, aug-cc-pVTZ, and 6-311++G(3df,3pd) basis sets as well as at the CCSD(T)/aug-cc-pVTZ level. The present study suggests that this new decomposition mechanism is effectively a near-barrierless process at room temperature and makes vapor phase of H2CO3 unstable even in the absence of water molecules. Our calculation at the MP2/aug-cc-pVTZ level predicts that the effective barrier, defined as the difference between the zero-point vibrational energy (ZPE) corrected energy of the transition state and the total energy of the isolated starting reactants in terms of bimolecular encounters, is nearly zero for the autocatalytic decomposition mechanism. The results at the CCSD(T)/aug-cc-pVTZ level of calculations suggest that the effective barrier, as defined above, is sensitive to some extent to the levels of calculations used, nevertheless, we find that the effective barrier height predicted at the CCSD(T)/aug-cc-pVTZ level is very small or in other words the autocatalytic decomposition mechanism presented in this work is a near-barrierless process as mentioned above. Thus, we suggest that this new autocatalytic decomposition mechanism has to be considered as the primary mechanism for the decomposition of carbonic acid, especially at its source, where the vapor phase concentration of H2CO3 molecules reaches its highest levels.

Metalorganic vapor phase epitaxy of AlN on sapphire with low etch pit density

Science.gov (United States)

Koleske, D. D.; Figiel, J. J.; Alliman, D. L.; Gunning, B. P.; Kempisty, J. M.; Creighton, J. R.; Mishima, A.; Ikenaga, K.

2017-06-01

Using metalorganic vapor phase epitaxy, methods were developed to achieve AlN films on sapphire with low etch pit density (EPD). Key to this achievement was using the same AlN growth recipe and only varying the pre-growth conditioning of the quartz-ware. After AlN growth, the quartz-ware was removed from the growth chamber and either exposed to room air or moved into the N2 purged glove box and exposed to H2O vapor. After the quartz-ware was exposed to room air or H2O, the AlN film growth was found to be more reproducible, resulting in films with (0002) and (10-12) x-ray diffraction (XRD) rocking curve linewidths of 200 and 500 arc sec, respectively, and EPDs < 100 cm-2. The EPD was found to correlate with (0002) linewidths, suggesting that the etch pits are associated with open core screw dislocations similar to GaN films. Once reproducible AlN conditions were established using the H2O pre-treatment, it was found that even small doses of trimethylaluminum (TMAl)/NH3 on the quartz-ware surfaces generated AlN films with higher EPDs. The presence of these residual TMAl/NH3-derived coatings in metalorganic vapor phase epitaxy (MOVPE) systems and their impact on the sapphire surface during heating might explain why reproducible growth of AlN on sapphire is difficult.

Radiation and Heterogeneous processes and hydrogen safety of nuclear reactors

International Nuclear Information System (INIS)

Agayev, T.N.; Eyubov, K.T.; Aliyev, S.M.; Faradjzade, I.A.; Imanova, G.T.

2017-01-01

Due to the development of the quantitative and probabilistic analysis of safety of atomic power stations, interest in major accidents which can lead to overheating and fusion of an active zone has increased now. One of the major processes from the point of view of assessment of accident consequences with damage of an active zone is process of hydrogen formation. In the real work sources of hydrogen formation at various stages of accident with loss of the coolant of water-to-water power reactors are considered. The role of different processes of hydrogen formation depends on temperature, an amount of water and steam in an active zone and some other parameters. In this regard we have tried to formulate approach to creation of mathematical model of dynamics of hydrogen formation at accident in which the factors mentioned above would be considered. At the first stage of accident which lasted several tens of seconds depressurization of the first contour and loss of pressure took place. Water of the first contour under normal conditions of operation contained radiolytic hydrogen which concentration significantly exceeded its solubility with an atmospheric pressure. Therefore the dissolved hydrogen was emitted in a gas phase at a rupture of the pipeline. The second stage of accident is characterized by water vaporization from the first contour. During this period the amount of water in an active zone is constant and also water temperature in an active zone is constant. At last, at the third stage of accident there is water vaporization from an active zone also a warming up of the heat allocating assembly and constructional materials of an active zone.

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

Science.gov (United States)

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.

41 CFR 50-204.68 - Hydrogen.

Science.gov (United States)

2010-07-01

... 41 Public Contracts and Property Management 1 2010-07-01 2010-07-01 true Hydrogen. 50-204.68..., Vapors, Fumes, Dusts, and Mists § 50-204.68 Hydrogen. The in-plant transfer, handling, storage, and utilization of hydrogen shall be in accordance with Compressed Gas Association Pamphlets G-5.1-1961 and G-5.2...

Solar Hydrogen Reaching Maturity

Directory of Open Access Journals (Sweden)

Rongé Jan

2015-09-01

Full Text Available Increasingly vast research efforts are devoted to the development of materials and processes for solar hydrogen production by light-driven dissociation of water into oxygen and hydrogen. Storage of solar energy in chemical bonds resolves the issues associated with the intermittent nature of sunlight, by decoupling energy generation and consumption. This paper investigates recent advances and prospects in solar hydrogen processes that are reaching market readiness. Future energy scenarios involving solar hydrogen are proposed and a case is made for systems producing hydrogen from water vapor present in air, supported by advanced modeling.

A kinetic and equilibrium analysis of silicon carbide chemical vapor deposition on monofilaments

Science.gov (United States)

Gokoglu, S. A.; Kuczmarski, M. A.

1993-01-01

Chemical kinetics of atmospheric pressure silicon carbide (SiC) chemical vapor deposition (CVD) from dilute silane and propane source gases in hydrogen is numerically analyzed in a cylindrical upflow reactor designed for CVD on monofilaments. The chemical composition of the SiC deposit is assessed both from the calculated total fluxes of carbon and silicon and from chemical equilibrium considerations for the prevailing temperatures and species concentrations at and along the filament surface. The effects of gas and surface chemistry on the evolution of major gas phase species are considered in the analysis.

Vapor-transport of tungsten and its geologic application

Energy Technology Data Exchange (ETDEWEB)

Shibue, Y [Hyogo Univ. of Teacher Education, Hyogo (Japan)

1988-11-10

The volatility of tungsten in a hydrous system at elevated temperatures and pressures was examined, and a tentative model for the enrichment of tungsten in hydrothermal solutions for the deposits related to granitic activities was proposed. To produce vapor-saturated solution, 17 or 15ml of 20wt% NaCl solution was introduced into an autoclave. Ca(OH){sub 2} for tungsten and H{sub 2}WO{sub 4} for base metals were used as vapor-captures, and run products were identified by X-ray powder diffractometry. The results suggested that the ratio of tungsten to base metals was higher in a vapor phase than in a liquid phase, and more enrichment of tungsten in the vapor phase occurred at higher temperature and pressure under the coexistence of the vapor and liquid phase. The tentative model emphasizing the vapor-transport of tungsten could explain the presence of tungsten deposits without large mineralization of base metals. Geological schematic model for the generation of the hydrothermal solution enriched in tungsten compared with base metals was illustrated based on above mentioned results. 21 refs., 3 figs.

Hydrogen atom in the phase-space formulation of quantum mechanics

International Nuclear Information System (INIS)

Gracia-Bondia, J.M.

1984-01-01

Using a coordinate transformation which regularizes the classical Kepler problem, we show that the hydrogen-atom case may be analytically solved via the phase-space formulation of nonrelativistic quantum mechanics. The problem is essentially reduced to that of a four-dimensional oscillator whose treatment in the phase-space formulation is developed. Furthermore, the method allows us to calculate the Green's function for the H atom in a surprisingly simple way

Improved Hydrogen Gas Getters for TRU Waste Transuranic and Mixed Waste Focus Area - Phase 2 Final Report

Energy Technology Data Exchange (ETDEWEB)

Stone, Mark Lee

2002-04-01

Alpha radiolysis of hydrogenous waste and packaging materials generates hydrogen gas in radioactive storage containers. For that reason, the Nuclear Regulatory Commission (NRC) limits the flammable gas (hydrogen) concentration in the Transuranic Package Transporter-II (TRUPACT-II) containers to 5 vol% of hydrogen in air, which is the lower explosion limit. Consequently, a method is needed to prevent the build up of hydrogen to 5 vol% during the storage and transport of the TRUPACT-II containers (up to 60 days). One promising option is the use of hydrogen getters. These materials scavenge hydrogen from the gas phase and irreversibly bind it in the solid phase. One proven getter is a material called 1,4-bis (phenylethynyl) benzene, or DEB. It has the needed binding rate and capacity, but some of the chemical species that might be present in the containers could interfere with its ability to remove hydrogen. This project is focused upon developing a protective polymeric membrane coating for the DEB getter material, which comes in the form of small, irregularly shaped particles. This report summarizes the experimental results of the second phase of the development of the materials.

Improved cell for water-vapor electrolysis

Science.gov (United States)

Aylward, J. R.

1981-01-01

Continuous-flow electrolytic cells decompose water vapor in steam and room air into hydrogen and oxygen. Sintered iridium oxide catalytic anode coating yields dissociation rates hundredfold greater than those obtained using platinum black. Cell consists of two mirror-image cells, with dual cathode sandwiched between two anodes. Gas traverses serpentine channels within cell and is dissociated at anode. Oxygen mingles with gas stream, while hydrogen migrates through porous matrix and is liberated as gas at cathode.

Phase diagram of nanoscale alloy particles used for vapor-liquid-solid growth of semiconductor nanowires.

Science.gov (United States)

Sutter, Eli; Sutter, Peter

2008-02-01

We use transmission electron microscopy observations to establish the parts of the phase diagram of nanometer sized Au-Ge alloy drops at the tips of Ge nanowires (NWs) that determine their temperature-dependent equilibrium composition and, hence, their exchange of semiconductor material with the NWs. We find that the phase diagram of the nanoscale drop deviates significantly from that of the bulk alloy, which explains discrepancies between actual growth results and predictions on the basis of the bulk-phase equilibria. Our findings provide the basis for tailoring vapor-liquid-solid growth to achieve complex one-dimensional materials geometries.

Direct Adsorption and Molecular Self-Assembly of Octylthioacetates on Au(111) in the Vapor Phase

International Nuclear Information System (INIS)

Park, Tae Sung; Kang, Hun Gu; Kim, You Young; Lee, Seong Keun; Noh, Jae Geun

2011-01-01

We demonstrate that the direct adsorption of OTA on Au(111) in ethanol solution led to the formation of a disordered phase, whereas OTA SAMs grown from the vapor phase have an ordered 5 Χ √3 striped phase. Thus, vapor deposition was found to be a more effective technique, as compared to solution deposition, for improving the structural order of SAMs by direct adsorption of thioacetates on gold. Organic thiols are prone to easily oxidize to disulfides or other oxidized species that can affect the formation and structure of SAMs. The presence of disulfides or oxidized compounds in thiol samples often yields poorly ordered SAMs containing a high defect density and disordered phases. An approach that minimizes undesirable thiol oxidation is the use of a protected thiol that is deprotected in situ before or during SAM formation. The protection of thiol groups can be readily accomplished by acetylation. SAMs derived from acetyl protected thiols (thioacetates) on gold have usually been formed via an in situ deprotection process of the acetyl group in strong acidic or basic solutions. Other deprotection techniques have also been developed that use organic compounds such as triethylamine, tetrabutylammonium cyanide, and 1,8-diazabicyclo[5.4.0]undec-7-ene, and organic SAMs with a high degree of structural order have been successfully constructed in solutions containing these deprotection reagents

Structure-property relationships in halogenbenzoic acids: Thermodynamics of sublimation, fusion, vaporization and solubility.

Science.gov (United States)

Zherikova, Kseniya V; Svetlov, Aleksey A; Kuratieva, Natalia V; Verevkin, Sergey P

2016-10-01

Temperature dependences of vapor pressures for 2-, 3-, and 4-bromobenzoic acid, as well as for five isomeric bromo-methylbenzoic acids were studied by the transpiration method. Melting temperatures and enthalpies of fusion for all isomeric bromo-methylbenzoic acids and 4-bromobenzoic acid were measured with a DSC. The molar enthalpies of sublimation and vaporization were derived. These data together with results available in the literature were collected and checked for internal consistency using a group-additivity procedure and results from X-ray structural diffraction studies. Specific (hydrogen bonding) interactions in the liquid and in the crystal phase of halogenbenzoic acids were quantified based on experimental values of vaporization and sublimation enthalpies. Structure-property correlations of solubilities of halogenobenzoic acids with sublimation pressures and sublimation enthalpies were developed and solubilities of bromo-benzoic acids were estimated. These new results resolve much of the ambiguity in the available thermochemical and solubility data on bromobenzoic acids. The approach based on structure property correlations can be applied for the assessment of water solubility of sparingly soluble drugs. Copyright © 2016 Elsevier Ltd. All rights reserved.

Low temperature vapor phase digestion of graphite

Energy Technology Data Exchange (ETDEWEB)

Pierce, Robert A.

2017-04-18

A method for digestion and gasification of graphite for removal from an underlying surface is described. The method can be utilized to remove graphite remnants of a formation process from the formed metal piece in a cleaning process. The method can be particularly beneficial in cleaning castings formed with graphite molding materials. The method can utilize vaporous nitric acid (HNO.sub.3) or vaporous HNO.sub.3 with air/oxygen to digest the graphite at conditions that can avoid damage to the underlying surface.

Recent advances towards a lithium vapor box divertor

Directory of Open Access Journals (Sweden)

R.J. Goldston

2017-08-01

Full Text Available Fusion power plants are likely to require near complete detachment of the divertor plasma from the divertor target plates, in order to have both acceptable heat flux at the target to avoid prompt damage and also acceptable plasma temperature at the target surface, to minimize long-term erosion. However hydrogenic and impurity puffing experiments show that detached operation leads easily to x-point MARFEs, impure plasmas, degradation in confinement, and lower helium pressure at the exhaust. The concept of the Lithium Vapor Box Divertor is to use local evaporation and strong differential pumping through condensation to localize low-Z gas-phase material that absorbs the plasma heat flux and so achieve detachment while avoiding these difficulties. The vapor localization has been confirmed using preliminary Navier–Stokes calculations. We use ADAS calculations of εcool, the plasma energy lost per injected lithium atom, to estimate the lithium vapor pressure, and so temperature, required for detachment, taking into account power balance. We also develop a simple model of detachment to evaluate the required upstream density, based on further taking into account dynamic pressure balance. A remarkable general result is found, not just for lithium-vapor-induced detachment, that the upstream density divided by the Greenwald-limit density scales as nup/nGW ∝ (P5/8/B3/8 Tdet1/2/(εcool+γTdet, with no explicit size scaling. Tdet is the temperature just before strong pressure loss, assumed to be ∼ ½ of the ionization potential of the dominant recycling species, and γ is the sheath heat transmission factor.

VLE measurements using a static cell vapor phase manual sampling method accompanied with an empirical data consistency test

International Nuclear Information System (INIS)

Freitag, Joerg; Kosuge, Hitoshi; Schmelzer, Juergen P.; Kato, Satoru

2015-01-01

Highlights: • We use a new, simple static cell vapor phase manual sampling method (SCVMS) for VLE (x, y, T) measurement. • The method is applied to non-azeotropic, asymmetric and two-liquid phase forming azeotropic binaries. • The method is approved by a data consistency test, i.e., a plot of the polarity exclusion factor vs. pressure. • The consistency test reveals that with the new SCVMS method accurate VLE near ambient temperature can be measured. • Moreover, the consistency test approves that the effect of air in the SCVMS system is negligible. - Abstract: A new static cell vapor phase manual sampling (SCVMS) method is used for the simple measurement of constant temperature x, y (vapor + liquid) equilibria (VLE). The method was applied to the VLE measurements of the (methanol + water) binary at T/K = (283.2, 298.2, 308.2 and 322.9), asymmetric (acetone + 1-butanol) binary at T/K = (283.2, 295.2, 308.2 and 324.2) and two-liquid phase forming azeotropic (water + 1-butanol) binary at T/K = (283.2 and 298.2). The accuracy of the experimental data was approved by a data consistency test, that is, an empirical plot of the polarity exclusion factor, β, vs. the system pressure, P. The SCVMS data are accurate, because the VLE data converge to the same lnβ vs. lnP straight line determined from conventional distillation-still method and a headspace gas chromatography method

Hydrogen-Induced Phase Transformation and Microstructure Evolution for Ti-6Al-4V Parts Produced by Electron Beam Melting

Directory of Open Access Journals (Sweden)

Natalia Pushilina

2018-04-01

Full Text Available In this paper, phase transitions and microstructure evolution in titanium Ti-6Al-4V alloy parts produced by electron beam melting (EBM under hydrogenation was investigated. Hydrogenation was carried out at the temperature of 650 °C to the absolute hydrogen concentrations in the samples of 0.29, 0.58, and 0.90 wt. %. Comparative analysis of microstructure changes in Ti-6Al-4V alloy parts was performed using scanning electron microscopy (SEM, transmission electron microscopy (TEM, and X-ray diffraction (XRD. Furthermore, in-situ XRD was used to investigate the phase transitions in the samples during hydrogenation. The structure of Ti-6Al-4V parts produced by EBM is represented by the α phase plates with the transverse length of 0.2 μm, the β phase both in the form of plates and globular grains, and metastable α″ and ω phases. Hydrogenation to the concentration of 0.29 wt. % leads to the formation of intermetallic Ti3Al phase. The dimensions of intermetallic Ti3Al plates and their volume fraction increase significantly with hydrogen concentration up to 0.58 wt. % along with precipitation of nano-sized crystals of titanium δ hydrides. Individual Ti3Al plates decay into nanocrystals with increasing hydrogen concentration up to 0.9 wt. % accompanied by the increase of proportion and size of hydride plates. Hardness of EBM Ti-6Al-4V alloy decreases with hydrogen content.

Standard-D hydrogen monitoring system, system design description

International Nuclear Information System (INIS)

Schneider, T.C.

1996-01-01

During most of the year, it is assumed that the vapor space in the 177 radioactive waste tanks on the Hanford Project site contain a uniform mixture of gases. Several of these waste tanks (currently twenty-five, 6 Double Shell Tanks and 19 Single Shell Tanks) were identified as having the potential for the buildup of gasses to a flammable level. An active ventilation system in the Double Shell Tanks and a passive ventilation system in the Single Shell Tanks provides a method of expelling gasses from the tanks. A gas release from a tank causes a temporary rise in the tank pressure, and a potential for increased concentration of hydrogen gas in the vapor space. The gas is released via the ventilation systems until a uniform gas mixture in the vapor space is once again achieved. The Standard Hydrogen Monitoring System (SHMS) is designed to monitor and quantify the percent hydrogen concentration during these potential gas releases. This document describes the design of the Standard-D Hydrogen Monitoring System, (SHMS-D) and its components as it differs from the original SHMS

The gas phase emitter effect of lanthanum within ceramic metal halide lamps and its dependence on the La vapor pressure and operating frequency

Energy Technology Data Exchange (ETDEWEB)

Ruhrmann, C.; Hoebing, T.; Bergner, A.; Groeger, S.; Awakowicz, P.; Mentel, J. [Electrical Engineering and Plasma Technology, Ruhr University Bochum, D-44780 Bochum (Germany); Denissen, C.; Suijker, J. [Philips Lighting, Category Professional Lamps, P.O. Box 80020, NL-5600JM Eindhoven (Netherlands)

2015-08-07

The gas phase emitter effect increases the lamp lifetime by lowering the work function and, with it, the temperature of the tungsten electrodes of metal halide lamps especially for lamps in ceramic vessels due to their high rare earth pressures. It is generated by a monolayer on the electrode surface of electropositive atoms of certain emitter elements, which are inserted into the lamp bulb by metal iodide salts. They are vaporized, dissociated, ionized, and deposited by an emitter ion current onto the electrode surface within the cathodic phase of lamp operation with a switched-dc or ac-current. The gas phase emitter effect of La and the influence of Na on the emitter effect of La are studied by spatially and phase-resolved pyrometric measurements of the electrode tip temperature, La atom, and ion densities by optical emission spectroscopy as well as optical broadband absorption spectroscopy and arc attachment images by short time photography. An addition of Na to the lamp filling increases the La vapor pressure within the lamp considerably, resulting in an improved gas phase emitter effect of La. Furthermore, the La vapor pressure is raised by a heating of the cold spot. In this way, conditions depending on the La vapor pressure and operating frequency are identified, at which the temperature of the electrodes becomes a minimum.

Phase change heat transfer device for process heat applications

International Nuclear Information System (INIS)

Sabharwall, Piyush; Patterson, Mike; Utgikar, Vivek; Gunnerson, Fred

2010-01-01

The next generation nuclear plant (NGNP) will most likely produce electricity and process heat, with both being considered for hydrogen production. To capture nuclear process heat, and transport it to a distant industrial facility requires a high temperature system of heat exchangers, pumps and/or compressors. The heat transfer system is particularly challenging not only due to the elevated temperatures (up to ∼1300 K) and industrial scale power transport (≥50 MW), but also due to a potentially large separation distance between the nuclear and industrial plants (100+ m) dictated by safety and licensing mandates. The work reported here is the preliminary analysis of two-phase thermosyphon heat transfer performance with alkali metals. A thermosyphon is a thermal device for transporting heat from one point to another with quite extraordinary properties. In contrast to single-phased forced convective heat transfer via 'pumping a fluid', a thermosyphon (also called a wickless heat pipe) transfers heat through the vaporization/condensing process. The condensate is further returned to the hot source by gravity, i.e., without any requirement of pumps or compressors. With this mode of heat transfer, the thermosyphon has the capability to transport heat at high rates over appreciable distances, virtually isothermally and without any requirement for external pumping devices. Two-phase heat transfer by a thermosyphon has the advantage of high enthalpy transport that includes the sensible heat of the liquid, the latent heat of vaporization, and vapor superheat. In contrast, single-phase forced convection transports only the sensible heat of the fluid. Additionally, vapor-phase velocities within a thermosyphon are much greater than single-phase liquid velocities within a forced convective loop. Thermosyphon performance can be limited by the sonic limit (choking) of vapor flow and/or by condensate entrainment. Proper thermosyphon requires analysis of both.

Vapor-liquid Phase Equilibria for CO2+Tertpentanol Binary System at Elevated Pressures

Institute of Scientific and Technical Information of China (English)

WANG Lin; LUO Jian-cheng; YANG Hao; CHEN Kai-xun

2011-01-01

Vapor-liquid phase equilibrium data of tertpentanol in carbon dioxide were measured at temperatures of 313.4,323.4,333.5 and 343.5 K and in the pressure range of 4.56-11.44 MPa.The phase equilibium apparatus used in the work was a variable-volume high-pressure cell.The experimental data were reasonably correlated with Peng-Robinson equation of state(PR-EOS) together with van der Waals-2 two-parameter mixing rules.Henry's Law constants and partial molar volumes of CO2 at infinite dilution were estimated with Krichevsky-Kasarnovsky equation,and Henry's Law constants increase with increasing temperature,however,partial molar volumes of CO2 at infinite dilution are negative whose magnitudes decrease with temperature.Partial molar volumes of CO2 and tertpentanol in liquid phase at equilibrium were calculated.

Gas Phase Hydrogenation of Levulinic Acid to gamma-Valerolactone

NARCIS (Netherlands)

Bonrath, Werner; Castelijns, Anna Maria Cornelia Francisca; de Vries, Johannes Gerardus; Guit, Rudolf Philippus Maria; Schuetz, Jan; Sereinig, Natascha; Vaessen, Henricus Wilhelmus Leonardus Marie

The gas phase hydrogenation of levulinic acid to gamma-valerolactone over copper and ruthenium based catalysts in a continuous fixed-bed reactor system was investigated. Among the catalysts a copper oxide based one [50-75 % CuO, 20-25 % SiO2, 1-5 % graphite, 0.1-1 % CuCO3/Cu(OH)(2)] gave

Managing amalgam phase down: An evaluation of mercury vapor levels in a dental center in Lagos, Nigeria

Directory of Open Access Journals (Sweden)

Adolphous Odofin Loto

2017-01-01

Full Text Available Background: Occupational exposure to elemental mercury vapor in a dental setting is mainly through inhalation exposure during preparation, insertion, polishing, and removal of amalgam fillings including storage of amalgam waste before disposal. This study aims to determine the indoor air levels of elemental mercury vapor in the dental operatories and ancillary sites at the Lagos State University Teaching Hospital (LASUTH. Materials and Methods: Samples of the ambient air were taken at seven locations the Dental Center of LASUTH by a trained technician between 9:00 and 11:00 a.m. This was done at a predetermined height (41/2feet above the floor for mercury vapor concentration using Lumex 915 light data logger mercury vapor analyzer manufactured by Ohio Lumex Company Incorporation, USA®. Results: The highest level of 1434 ng/m3 of mercury vapor in the air was found in the restorative clinic while the lowest of 23 ng Hg/m3 was found in the ambient air at the entrance of the dental Center. The Oral Surgery clinic had mercury vapor level of 318 ng/m3 which was slightly higher than Environmental Protection Agency recommended value of 0.3 μg/m3. Conclusion: An unacceptably high level of mercury vapor was detected, especially in the restorative clinic. Every dental clinic should have its ambient air evaluated for mercury vapor level for the purpose of forming a baseline data for monitoring purposes during the period of phase down of amalgam use. Best practices should also be instituted to reduce the level of exposure of patients and dental care workers to mercury vapor.

Influence of krypton atoms on the structure of hydrogenated amorphous carbon deposited by plasma enhanced chemical vapor deposition

Science.gov (United States)

Oliveira, M. H.; Viana, G. A.; de Lima, M. M.; Cros, A.; Cantarero, A.; Marques, F. C.

2010-12-01

Hydrogenated amorphous carbon (a-C:H) films were prepared by plasma enhanced chemical vapor deposition using methane (CH4) plus krypton (Kr) mixed atmosphere. The depositions were performed as function of the bias voltage and krypton partial pressure. The goal of this work was to study the influence of krypton gas on the physical properties of a-C:H films deposited on the cathode electrode. Krypton concentration up to 1.6 at. %, determined by Rutherford Back-Scattering, was obtained at high Kr partial pressure and bias of -120 V. The structure of the films was analyzed by means of optical transmission spectroscopy, multi-wavelength Raman scattering and Fourier Transform Infrared spectroscopy. It was verified that the structure of the films remains unchanged up to a concentration of Kr of about 1.0 at. %. A slight graphitization of the films occurs for higher concentration. The observed variation in the film structure, optical band gap, stress, and hydrogen concentration were associated mainly with the subplantation process of hydrocarbons radicals, rather than the krypton ion energy.

Influence of krypton atoms on the structure of hydrogenated amorphous carbon deposited by plasma enhanced chemical vapor deposition

International Nuclear Information System (INIS)

Oliveira, M. H. Jr.; Viana, G. A.; Marques, F. C.; Lima, M. M. Jr. de; Cros, A.; Cantarero, A.

2010-01-01

Hydrogenated amorphous carbon (a-C:H) films were prepared by plasma enhanced chemical vapor deposition using methane (CH 4 ) plus krypton (Kr) mixed atmosphere. The depositions were performed as function of the bias voltage and krypton partial pressure. The goal of this work was to study the influence of krypton gas on the physical properties of a-C:H films deposited on the cathode electrode. Krypton concentration up to 1.6 at. %, determined by Rutherford Back-Scattering, was obtained at high Kr partial pressure and bias of -120 V. The structure of the films was analyzed by means of optical transmission spectroscopy, multi-wavelength Raman scattering and Fourier Transform Infrared spectroscopy. It was verified that the structure of the films remains unchanged up to a concentration of Kr of about 1.0 at. %. A slight graphitization of the films occurs for higher concentration. The observed variation in the film structure, optical band gap, stress, and hydrogen concentration were associated mainly with the subplantation process of hydrocarbons radicals, rather than the krypton ion energy.

Mechanical Properties of Super Duplex Stainless Steel 2507 after Gas Phase Thermal Precharging with Hydrogen

Science.gov (United States)

San Marchi, C.; Somerday, B. P.; Zelinski, J.; Tang, X.; Schiroky, G. H.

2007-11-01

Thermal precharging of super duplex stainless steel 2507 with 125 wppm hydrogen significantly reduced tensile ductility and fracture toughness. Strain-hardened 2507 exhibited more severe ductility loss compared to the annealed microstructure. The reduction of area (RA) was between 80 and 85 pct for both microstructures in the noncharged condition, while reductions of area were 25 and 46 pct for the strain-hardened and annealed microstructures, respectively, after hydrogen precharging. Similar to the effect of internal hydrogen on tensile ductility, fracture toughness of strain-hardened 2507 was lowered from nearly 300 MPa m1/2 in the noncharged condition to less than 60 MPa m1/2 in the hydrogen-precharged condition. While precharging 2507 with hydrogen results in a considerable reduction in ductility and toughness, the absolute values are similar to high-strength austenitic steels that have been tested under the same conditions, and which are generally considered acceptable for high-pressure hydrogen gas systems. The fracture mode in hydrogen-precharged 2507 involved cleavage cracking of the ferrite phase and ductile fracture along oblique planes in the austenite phase, compared to 100 pct microvoid coalescence in the absence of hydrogen. Predictions from a strain-based micromechanical fracture toughness model were in good agreement with the measured fracture toughness of hydrogen-precharged 2507, implying a governing role of austenite for resistance to hydrogen-assisted fracture.

Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice.

Science.gov (United States)

Murdachaew, Garold; Mundy, Christopher J; Schenter, Gregory K; Laino, Teodoro; Hutter, Jürg

2011-06-16

We have applied an efficient electronic structure approach, the semiempirical self-consistent polarization neglect of diatomic differential overlap (SCP-NDDO) method, previously parametrized to reproduce properties of water clusters by Chang, Schenter, and Garrett [ J. Chem. Phys. 2008 , 128 , 164111 ] and now implemented in the CP2K package, to model ambient liquid water at 300 K (both the bulk and the liquid-vapor interface) and cubic ice at 15 and 250 K. The SCP-NDDO potential retains its transferability and good performance across the full range of conditions encountered in the clusters and the bulk phases of water. In particular, we obtain good results for the density, radial distribution functions, enthalpy of vaporization, self-diffusion coefficient, molecular dipole moment distribution, and hydrogen bond populations, in comparison to experimental measurements. © 2011 American Chemical Society

Controlled surface diffusion in plasma-enhanced chemical vapor deposition of GaN nanowires

International Nuclear Information System (INIS)

Hou, W C; Hong, Franklin Chau-Nan

2009-01-01

This study investigates the growth of GaN nanowires by controlling the surface diffusion of Ga species on sapphire in a plasma-enhanced chemical vapor deposition (CVD) system. Under nitrogen-rich growth conditions, Ga has a tendency to adsorb on the substrate surface diffusing to nanowires to contribute to their growth. The significance of surface diffusion on the growth of nanowires is dependent on the environment of the nanowire on the substrate surface as well as the gas phase species and compositions. Under nitrogen-rich growth conditions, the growth rate is strongly dependent on the surface diffusion of gallium, but the addition of 5% hydrogen in nitrogen plasma instantly diminishes the surface diffusion effect. Gallium desorbs easily from the surface by reaction with hydrogen. On the other hand, under gallium-rich growth conditions, nanowire growth is shown to be dominated by the gas phase deposition, with negligible contribution from surface diffusion. This is the first study reporting the inhibition of surface diffusion effects by hydrogen addition, which can be useful in tailoring the growth and characteristics of nanowires. Without any evidence of direct deposition on the nanowire surface, gallium and nitrogen are shown to dissolve into the catalyst for growing the nanowires at 900 deg. C.

Thermal hydraulic considerations and mock-up tests for developing two-phase thermo-siphon loop of CARR-CNS

International Nuclear Information System (INIS)

Shejiao, Du; Qincheng, Bi; Tingkuan, Chen; Quanke, Feng

2005-01-01

The main component of the China Advanced Research Reactor Cold Neutron Source (CARR-CNS), which is under design, is a two-phase thermo-siphon loop of hydrogen. It consists of a condenser, a single tube with counter current flow avoiding flooding and a cylindrical-annulus moderator cell. The mockup tests were carried out using a full-scale loop with Freon-113, to validate the self-regulating characteristics of the loop, void fraction less than 20% in the liquid of the moderator cell and the requirements for establishing the condition under which the inner shell of the moderator cell has only vapor and the outer shell liquid. In the case of these mockup tests the density ratio of liquid to vapor and the volumetric vapor evaporation rate due to heat load are kept the same as those in normal operation of the CARR-CNS. The results show that the loop has the self-regulating characteristics and the inner shell of the moderator cell contains only vapor, the outer shell liquid. The average void fraction of the moderator cell was verified less than 20% under the volumetric vapor generation of 0.65 l/s corresponding to the nuclear heating of 800 W in the case of the liquid hydrogen. The local void fraction in the liquid hydrogen increases with the increase of the loop pressure under the condition of a constant volumetric evaporation

System Model of Heat and Mass Transfer Process for Mobile Solvent Vapor Phase Drying Equipment

Directory of Open Access Journals (Sweden)

Shiwei Zhang

2014-01-01

Full Text Available The solvent vapor phase drying process is one of the most important processes during the production and maintenance for large oil-immersed power transformer. In this paper, the working principle, system composition, and technological process of mobile solvent vapor phase drying (MVPD equipment for transformer are introduced in detail. On the basis of necessary simplification and assumption for MVPD equipment and process, a heat and mass transfer mathematical model including 40 mathematical equations is established, which represents completely thermodynamics laws of phase change and transport process of solvent, water, and air in MVPD technological processes and describes in detail the quantitative relationship among important physical quantities such as temperature, pressure, and flux in key equipment units and process. Taking a practical field drying process of 500 KV/750 MVA power transformer as an example, the simulation calculation of a complete technological process is carried out by programming with MATLAB software and some relation curves of key process parameters changing with time are obtained such as body temperature, tank pressure, and water yield. The change trend of theoretical simulation results is very consistent with the actual production record data which verifies the correctness of mathematical model established.

Chemical reduction of refractory oxides by atomic hydrogen

International Nuclear Information System (INIS)

Dooley, D.; Balooch, M.; Olander, D.R.

1978-11-01

The chemical reduction of UO 2 and Al 2 O 3 by atomic hydrogen was studied. Results of the UO 2 /H investigation indicates that reduction of UO 2 by atomic hydrogen proceeds by the production of water vapor and hypostoichiometric urania. Water vapor and aluminum metal are formed in the Al 2 O 3 /H system. The relative ease which UO 2 is reduced by atomic hydrogen compared with Al 2 O 3 is due to two factors. The first is related to the thermochemistry of the reactions. The second factor which favors efficient reduction of UO 2 but not of Al 2 O 3 is the oxygen diffusivity

The influence of temperature on the polymerization of ethyl cyanoacrylate from the vapor phase

Energy Technology Data Exchange (ETDEWEB)

Dadmun, Mark D [ORNL; Algaier, Dana [University of Tennessee, Knoxville (UTK); Baskaran, Durairaj [University of Tennessee, Knoxville (UTK)

2011-01-01

The polymerization of ethyl cyanoacrylate fumes from surface bound initiators is an important step in many novel and mature technologies. Understanding the effect of temperature on the rate of poly(ethyl cyanoacrylate) (PECA) growth and its molecular weight during its polymerization from the vapor phase from surface bound initiators provides insight into the important mechanistic aspects that impact the polymerizations success. In these studies, it is shown that the amount of PECA formed during the polymerization of ECA from a latent fingerprint increases with decreasing temperature, while the polymer molecular weight varies little. This is interpreted to be the result of the loosening of the ion pair that initiates the polymer chain growth and resides on the end of the growing polymer chain with decreasing temperature. Comparison of temperature effects and counter-ion studies show that in both cases loosening the ion pair results in the formation of more polymer with similar molecular weight, verifying this interpretation. These results further suggest that lowering the temperature may be an effective method to optimize anionic vapor phase polymerizations, including the improvement of the quality of aged latent prints and preliminary results are presented that substantiate this prediction.

Water vapor pressure over molten KH_2PO_4 and demonstration of water electrolysis at ∼300 °C

International Nuclear Information System (INIS)

Berg, R.W.; Nikiforov, A.V.; Petrushina, I.M.; Bjerrum, N.J.

2016-01-01

Highlights: • The vapor pressure over molten KH_2PO_4 was measured by Raman spectroscopy to be about 8 bars at ∼300 °C. • Raman spectroscopy shows that molten KH_2PO_4 under its own vapor pressure contains much dissolved water. • It is demonstrated spectroscopically that water electrolysis is possible in KH_2PO_4 electrolyte forming H_2 and O_2 at 300 °C. • Molten KH_2PO_4 is a possible electrolyte for water electrolysis. - Abstract: A new potentially high-efficiency electrolyte for water electrolysis: molten monobasic potassium phosphate, KH_2PO_4 or KDP has been investigated at temperatures ∼275–325 °C. At these temperatures, KH_2PO_4 was found to dissociate into H_2O gas in equilibrium with a melt mixture of KH_2PO_4−K_2H_2P_2O_7−KPO_3−H_2O. The water vapor pressure above the melt, when contained in a closed ampoule, was determined quantitatively vs. temperature by use of Raman spectroscopy with methane or hydrogen gas as an internal calibration standard, using newly established relative ratios of Raman scattering cross sections of water and methane or hydrogen to be 0.40 ± 0.02 or 1.2 ± 0.03. At equilibrium the vapor pressure was much lower than the vapor pressure above liquid water at the same temperature. Electrolysis was realized by passing current through closed ampoules (vacuum sealed quartz glass electrolysis cells with platinum electrodes and the electrolyte melt). The formation of mixtures of hydrogen and oxygen gases as well as the water vapor was detected by Raman spectroscopy. In this way it was demonstrated that water is present in the new electrolyte: molten KH_2PO_4 can be split by electrolysis via the reaction 2H_2O → 2H_2 + O_2 at temperatures ∼275–325 °C. At these temperatures, before the start of the electrolysis, the KH_2PO_4 melt gives off H_2O gas that pressurizes the cell according to the following dissociations: 2KH_2PO_4 ↔ K_2H_2P_2O_7 + H_2O ↔ 2KPO_3 + 2H_2O. The spectra show however that the water by

Formation of metastable phases in magnesium–titanium system by high-pressure torsion and their hydrogen storage performance

International Nuclear Information System (INIS)

Edalati, Kaveh; Emami, Hoda; Staykov, Aleksandar; Smith, David J.; Akiba, Etsuo; Horita, Zenji

2015-01-01

No binary phases exist in the Mg–Ti binary equilibrium phase diagram and the two elements are totally immiscible even in liquid form. This study shows that four metastable phases (two with the bcc and fcc structures and two with the hcp structures) are formed in the Mg–Ti system by severe plastic deformation (SPD) through the process of high-pressure torsion (HPT). Investigation of hydrogenation properties reveals that these metastable phases are decomposed to pure Mg and Ti during heating before they can absorb the hydrogen in the form of ternary Mg–Ti hydrides. First-principles calculations show that the hydrogenation reaction should occur thermodynamically, and ternary Mg–Ti hydrides with the cubic structure should form at low temperature. However, the slow kinetics for this reaction appears to be the limiting step. Calculations show that the binding energy of hydrogen increases and the thermodynamic stability of hydrides undesirably increases by addition of Ti to Mg

Formation of Multiple-Phase Catalysts for the Hydrogen Storage of Mg Nanoparticles by Adding Flowerlike NiS.

Science.gov (United States)

Xie, Xiubo; Ma, Xiujuan; Liu, Peng; Shang, Jiaxiang; Li, Xingguo; Liu, Tong

2017-02-22

In order to enhance the hydrogen storage properties of Mg, flowerlike NiS particles have been successfully prepared by solvothermal reaction method, and are subsequently ball milled with Mg nanoparticles (NPs) to fabricate Mg-5 wt % NiS nanocomposite. The nanocomposite displays Mg/NiS core/shell structure. The NiS shell decomposes into Ni, MgS and Mg 2 Ni multiple-phases, decorating on the surface of the Mg NPs after the first hydrogen absorption and desorption cycle at 673 K. The Mg-MgS-Mg 2 Ni-Ni nanocomposite shows enhanced hydrogenation and dehydrogenation rates: it can quickly uptake 3.5 wt % H 2 within 10 min at 423 K and release 3.1 wt % H 2 within 10 min at 573 K. The apparent hydrogen absorption and desorption activation energies are decreased to 45.45 and 64.71 kJ mol -1 . The enhanced sorption kinetics of the nanocomposite is attributed to the synergistic catalytic effects of the in situ formed MgS, Ni and Mg 2 Ni multiple-phase catalysts during the hydrogenation/dehydrogenation process, the porthole effects for the volume expansion and microstrain of the phase transformation of Mg 2 Ni and Mg 2 NiH 4 and the reduced hydrogen diffusion distance caused by nanosized Mg. This novel method of in situ producing multiple-phase catalysts gives a new horizon for designing high performance hydrogen storage material.

Hydrogenation of shale

Energy Technology Data Exchange (ETDEWEB)

Bedwell, A J; Clark, E D; Miebach, F W

1935-09-28

A process for the distillation, cracking, and hydrogenation of shale or other carbonaceous material consists in first distilling the material to produce hydrocarbon oils. Steam is introduced and is passed downwardly with hydrocarbon vapors from the upper portion of the retort where the temperature is maintained between 400/sup 0/C and 450/sup 0/C over the spent carbonaceous materials. The material is drawn off at the bottom of the retort which is maintained at a temperature ranging from 600/sup 0/C to 800/sup 0/C whereby the hydrocarbon vapors are cracked in the pressure of nascent hydrogen obtained by the action of the introduced steam on the spent material. The cracked gases and undecomposed steam are passed through a catalyst tower containing iron-magnesium oxides resulting in the formation of light volatile oils.

Review of the methods to form hydrogen peroxide in electrical discharge plasma with liquid water

Science.gov (United States)

Locke, Bruce R.; Shih, Kai-Yuan

2011-06-01

This paper presents a review of the literature dealing with the formation of hydrogen peroxide from plasma processes. Energy yields for hydrogen peroxide generation by plasma from water span approximately three orders of magnitude from 4 × 10-2 to 80 g kWh-1. A wide range of plasma processes from rf to pulsed, ac, and dc discharges directly in the liquid phase have similar energy yields and may thus be limited by radical quenching processes at the plasma-liquid interface. Reactor modification using discharges in bubbles and discharges over the liquid phase can provide modest improvements in energy yield over direct discharge in the liquid, but the interpretation is complicated by additional chemical reactions of gas phase components such as ozone and nitrogen oxides. The highest efficiency plasma process utilizes liquid water droplets that may enhance efficiency by sequestering hydrogen peroxide in the liquid and by suppressing decomposition reactions by radicals from the gas and at the interface. Kinetic simulations of water vapor reported in the literature suggest that plasma generation of hydrogen peroxide should approach 45% of the thermodynamics limit, and this fact coupled with experimental studies demonstrating improvements with the presence of the condensed liquid phase suggest that further improvements in energy yield may be possible. Plasma generation of hydrogen peroxide directly from water compares favorably with a number of other methods including electron beam, ultrasound, electrochemical and photochemical methods, and other chemical processes.

Review of the methods to form hydrogen peroxide in electrical discharge plasma with liquid water

Energy Technology Data Exchange (ETDEWEB)

Locke, Bruce R; Shih, Kai-Yuan [Department of Chemical and Biomedical Engineering, Florida State University, Tallahassee, FL 32310 (United States)

2011-06-15

This paper presents a review of the literature dealing with the formation of hydrogen peroxide from plasma processes. Energy yields for hydrogen peroxide generation by plasma from water span approximately three orders of magnitude from 4 x 10{sup -2} to 80 g kWh{sup -1}. A wide range of plasma processes from rf to pulsed, ac, and dc discharges directly in the liquid phase have similar energy yields and may thus be limited by radical quenching processes at the plasma-liquid interface. Reactor modification using discharges in bubbles and discharges over the liquid phase can provide modest improvements in energy yield over direct discharge in the liquid, but the interpretation is complicated by additional chemical reactions of gas phase components such as ozone and nitrogen oxides. The highest efficiency plasma process utilizes liquid water droplets that may enhance efficiency by sequestering hydrogen peroxide in the liquid and by suppressing decomposition reactions by radicals from the gas and at the interface. Kinetic simulations of water vapor reported in the literature suggest that plasma generation of hydrogen peroxide should approach 45% of the thermodynamics limit, and this fact coupled with experimental studies demonstrating improvements with the presence of the condensed liquid phase suggest that further improvements in energy yield may be possible. Plasma generation of hydrogen peroxide directly from water compares favorably with a number of other methods including electron beam, ultrasound, electrochemical and photochemical methods, and other chemical processes.

Mass transfer in liquid phase catalytic exchange column of trickle bed type

International Nuclear Information System (INIS)

Yamanishi, Toshihiko; Iwai, Yasunori; Okuno, Kenji

1995-09-01

The mechanism of mass transfer in a liquid phase catalytic exchange column was discussed for a trickle bed type. A new model has been proposed on the basis of this mass transfer mechanism; and several problems for the previous reported models were pointed out in the derivation of the model. An overall rate equation was first derived from the vapor-hydrogen exchange in the model. The mass transfer for the vapor-hydrogen exchange was decomposed to the following three steps: the mass transfer in a gas boundary layer on a catalyst particle; the mass transfer within the pores in the catalyst; and the chemical reaction on the surface of the catalyst. The water-vapor scrubbing process was considered as a series of the mass transfers in gas and liquid boundary layers on the wetted surfaces of the catalyst and packings or wall of the column. Significant subjects to be studied were proposed from the viewpoint of the validity of the model and the optimization of the column. (author)

Oxidation resistant organic hydrogen getters

Science.gov (United States)

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

2008-09-09

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

High temperature vapors science and technology

CERN Document Server

Hastie, John

2012-01-01

High Temperature Vapors: Science and Technology focuses on the relationship of the basic science of high-temperature vapors to some areas of discernible practical importance in modern science and technology. The major high-temperature problem areas selected for discussion include chemical vapor transport and deposition; the vapor phase aspects of corrosion, combustion, and energy systems; and extraterrestrial high-temperature species. This book is comprised of seven chapters and begins with an introduction to the nature of the high-temperature vapor state, the scope and literature of high-temp

Metal hydrides for hydrogen storage in nickel hydrogen batteries

International Nuclear Information System (INIS)

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

1984-01-01

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

Hydrogen atom in phase space

International Nuclear Information System (INIS)

Chetouani, L.; Hammann, T.F.

1987-01-01

The Hamiltonian of the three-dimensional hydrogen atom is reduced, in parabolic coordinates, to the Hamiltonians of two bidimensional harmonic oscillators, by doing several space-time transformations,separating the movement along the three parabolic directions (ξ,eta,phi), and introducing two auxiliary angular variables psi and psi', 0≤psi, psi'≤2π. The Green's function is developed into partial Green's functions, and expressed in terms of two Green's functions that describe the movements along both the ξ and eta axes. Introducing auxiliary Hamiltonians allows one to calculate the Green's function in the configurational space, via the phase-space evolution function of the two-dimensional harmonic oscillator. The auxiliary variables psi and psi' are eliminated by projection. The thus-obtained Green's function, save for a multiplicating factor, coincides with that calculated following the path-integral formalism

THE EFFECT OF WATER (VAPOR-PHASE) AND CARBON ON ELEMENTAL MERCURY REMOVAL IN A FLOW REACTOR

Science.gov (United States)

The paper gives results of studying the effect of vapor-phase moisture on elemental mercury (Hgo) removal by activated carbon (AC) in a flow reactor. tests involved injecting AC into both a dry and a 4% moisture nitrogen (N2) /Hgo gas stream. A bituminous-coal-based AC (Calgon WP...

Growth of NH4Cl Single Crystal from Vapor Phase in Vertical Furnace

Science.gov (United States)

Nigara, Yutaka; Yoshizawa, Masahito; Fujimura, Tadao

1983-02-01

A pure and internally stress-free single crystal of NH4Cl was grown successfully from the vapor phase. The crystal measured 1.6 cmφ× 2 cm and had the disordered CsCl structure, which was stable below 184°C. The crystal was grown in an ampoule in a vertical furnace, in which the vapor was efficiently transported both by diffusion and convection. In line with the growth mechanism of a single crystal, the temperature fluctuation (°C/min) on the growth interface was kept smaller than the product of the temperature gradient (°C/cm) and the growth rate (cm/min). The specific heat of the crystal was measured around -31°C (242 K) during cooling and heating cycles by AC calorimetry. The thermal hysteresis (0.4 K) obtained here was smaller than that (0.89 K) of an NH4Cl crystal grown from its aqueous solution with urea added as a habit modifier.

Relations between oxygen and hydrogen generated by radiolysis in the systems of a CANDU 600

International Nuclear Information System (INIS)

Romano, Christian; Chocron, Mauricio; Urrutia, Guillermo

1999-01-01

The water that constitutes the coolant of the primary heat transport system, the moderator and the liquid control zones, decomposed under radiation producing as stable products oxygen, hydrogen and hydrogen peroxide throughout a complex mechanisms of radiolysis that involves ions and free radicals. These compound formed in different proportions alters the chemical control established for each system which purpose is to minimize the corrosion of the structural materials. In the present paper have been presented results of the modelling of the mentioned processes and it has been found that in the absence of a vapor phase, a relatively low concentration of hydrogen added to the water would be sufficient to control the formation of oxygen and hydrogen peroxide. The last species however, would remain in relatively high values inside a coolant fuel channel in the reactor core. (author)

Fabrication of single-phase ε-GaSe films on Si(100) substrate by metal organic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Chang, Chia-Chen; Zeng, Jia-Xian; Lan, Shan-Ming [Department of Electronic Engineering, College of Electrical Engineering and Computer Science, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China); Uen, Wu-Yih, E-mail: uenwuyih@ms37.hinet.net [Department of Electronic Engineering, College of Electrical Engineering and Computer Science, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China); Liao, Sen-Mao [Department of Electronic Engineering, College of Electrical Engineering and Computer Science, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China); Yang, Tsun-Neng; Ma, Wei-Yang [Institute of Nuclear Energy Research, P.O. Box 3-11, Lungtan 32500, Taiwan (China); Chang, Kuo-Jen [Chung-Shan Institute of Science and Technology, No.15, Shi Qi Zi, Gaoping Village, Longtan Township, Taoyuan County, Taiwan (China)

2013-09-02

Single-phase ε-gallium selenide (GaSe) films were fabricated on Si(100) substrate by metal organic chemical vapor deposition using dual-source precursors: triethylgallium (TEG) and hydrogen selenide (H{sub 2}Se) with the flow ratio of [H{sub 2}Se]/[TEG] being maintained at 1.2. In particular, an arsine (AsH{sub 3}) flow was introduced to the Si substrate before the film deposition to induce an arsenic (As)-passivation effect on the substrate. The crystalline structure of GaSe films prepared was analyzed using X-ray diffraction and the surface morphology of them was characterized by scanning electron microscopy. It was found that the film quality could be improved by the As-passivation effect. The optical properties of the films were studied by temperature dependent photoluminescence (PL) measurements. PL spectra obtained with different distributions and intensities favored for resolving the superior material quality of the films produced on the substrate with As-passivation compared to those produced on the substrate without As-passivation. The former was dominated by the excitonic emissions for the whole temperature range of 20–300 K examined, while the latter was initially dominated by the defect-related emission at 1.907 eV for a low-temperature range ≦ 80 K and then became dominated by the weak excitonic emission band instead. The ε modification of GaSe films prepared was further recognized by the Raman scattering measurements conducted at room temperature. - Highlights: • Gallium selenide (GaSe) layered structures are fabricated on Si(100) substrate. • Metal–organic chemical vapor deposition is used for film fabrication. • Arsenic-passivation effects of Si substrate on the GaSe film quality are analyzed. • Photoluminescence measurements of GaSe polycrystals are reported.

Existence of ternary hydrogenated phases of BeP/sub 2-x/H/sub y/

International Nuclear Information System (INIS)

Jean-Francois, B.; Gerardin, R.; El Maslout, A.; Zanne, M.; Courtois, A.; Aubry, J.

1975-01-01

The phosphidation of beryllium in the presence of traces of hydrogen leads to non stoichiometric ternary phases BeP/sub 2-x/H/sub y/. The stoichiometric diphosphide BeP 2 cannot be obtained. The hydrogenated phases are black and nonhygroscopic. The structural study with x-ray diffraction, neutrons diffraction, electronic microdiffraction, as well as the crystallographic data from single crystal, provide evidence for a quadratic cell with a = 7.08 A and c = 30.12 A. The stacking is diamond type when considering all the atoms: Be, P and H

Liquid-phase and vapor-phase dehydration of organic/water solutions

Science.gov (United States)

Huang, Yu [Palo Alto, CA; Ly, Jennifer [San Jose, CA; Aldajani, Tiem [San Jose, CA; Baker, Richard W [Palo Alto, CA

2011-08-23

Processes for dehydrating an organic/water solution by pervaporation or vapor separation using fluorinated membranes. The processes are particularly useful for treating mixtures containing light organic components, such as ethanol, isopropanol or acetic acid.

Phase transition and luminescence properties from vapor etched silicon

International Nuclear Information System (INIS)

Aouida, S.; Saadoun, M.; Ben Saad, K.; Bessais, B.

2006-01-01

In this work, we present a study on the structure and photoluminescence (PL) properties of a non-conventional ammonium hexafluorosilicate (NH 4 ) 2 SiF 6 (white powder) obtained from HNO 3 /HF chemical vapor etching (CVE) of silicon wafers. The CVE method leads either to the formation of luminescent Porous Silicon (PS) or SiO x /Si-containing (NH 4 ) 2 SiF 6 depending on the experimental conditions. At specific conditions (i.e., HNO 3 / HF volume ratio > 1 / 4), the CVE technique can generate instead of PS, a (NH 4 ) 2 SiF 6 phase where SiO x /Si particles are embedded. The (NH 4 ) 2 SiF 6 marketed powder is not luminescent, while that obtained from silicon vapor-etching presents a noticeable intense and stable photoluminescence (PL), which was found to have mainly two shoulders at 1.98 and 2.1 eV. Two processes have been proposed to explain this PL property. First, the visible luminescence around 1.98 eV would come from silicon nanoparticles embedded in the powder, having a distribution size that does not allow SiO x species to influence their own PL. Second, the PL shoulder around 2.1 eV would originate from small silicon nanoparticles trapped in SiO x features, leading to oxide related states that may trap electrons or excitons, depending on the silicon nanoparticle size, wherein radiative recombination occurs. The PL shoulder could become broader at low temperatures suggesting the existence of radiative recombination in SiO x related defects

An Evaluation of the Vapor Phase Catalytic Ammonia Removal Process for Use in a Mars Transit Vehicle

Science.gov (United States)

Flynn, Michael; Borchers, Bruce

1998-01-01

An experimental program has been developed to evaluate the potential of the Vapor Phase Catalytic Ammonia Reduction (VPCAR) technology for use as a Mars Transit Vehicle water purification system. Design modifications which will be required to ensure proper operation of the VPCAR system in reduced gravity are also evaluated. The VPCAR system is an integrated wastewater treatment technology that combines a distillation process with high temperature catalytic oxidation. The distillation portion of the system utilizes a vapor compression distillation process to provide an energy efficient phase change separation. This portion of the system removes any inorganic salts and large molecular weight, organic contaminates, i.e., non-volatile, from the product water stream and concentrates these contaminates into a byproduct stream. To oxidize the volatile organic compounds and ammonia, a vapor phase, high temperature catalytic oxidizer is used. This catalytic system converts these compounds along with the aqueous product into CO2, H2O, and N2O. A secondary catalytic bed can then be used to reduce the N2O to nitrogen and oxygen (although not evaluated in this study). This paper describes the design specification of the VPCAR process, the relative benefits of its utilization in a Mars Transit Vehicle, and the design modification which will be required to ensure its proper operation in reduced gravity. In addition, the results of an experimental evaluation of the processors is presented. This evaluation presents the processors performance based upon product water purity, water recovery rates, and power.

Preparing interesting hydrocarbons by hydrogenation, etc

Energy Technology Data Exchange (ETDEWEB)

1938-02-15

Now, it has been found that gasoline and a combustible oil are produced by destructive hydrogenation of pastes prepared from solid carbonaceous materials and mixtures of middle oils and the mud in question, by regulating the composition of the products removed as vapors in a way that they contain at least the total new heavy oil formed in the course of the destructive hydrogenation and in using as mixing agent for the new raw material the mud proceeding from the operation and middle oil, having withdrawn from this mud all or part of the solid constituents. This destructive hydrogenation is carried out in a converter where a constant level of liquid is maintained, the vapors escaping at the top of the converter and the mud being drawn off at one or more places from the column of liquid undergoing reaction.

Pollution level and distribution of PCDD/PCDF congeners between vapor phase and particulate phase in winter air of Dalian, China.

Science.gov (United States)

Wang, Wei; Qin, Songtao; Song, Yu; Xu, Qian; Ni, Yuwen; Chen, Jiping; Zhang, Xueping; Mu, Jim; Zhu, Xiuhua

2011-06-01

In December 2009, ambient air was sampled with active high-volume air samplers at two sites: on the roof of the No. l building of Dalian Jiaotong University and on the roof of the building of Dalian Meteorological Observatory. The concentrations and the congeners between vapor phase and particulate phase of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in the air were measured. Sample analysis results showed that the concentrations of PCDD/Fs in particulate phase was higher than that in gaseous phase. The ratio of PCDD to PCDF in gaseous phase and particulate phase was lower than 0.4 in all samples. The total I-TEQ value in gaseous phase and particulate phase was 5.5 and 453.8 fg/m(3) at Dalian Jiaotong University, 16.6 and 462.1 fg/m(3) at Dalian Meteorological Observatory, respectively. The I-TEQ value of Dalian atmosphere was 5.5-462.1 fg/m(3) which was lower than international standard, the atmospheric quality in Dalian is better. Copyright © 2011 The Research Centre for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

Comparison of the layer structure of vapor phase and leached SRL glass by use of AEM [analytical electron microscopy

International Nuclear Information System (INIS)

Biwer, B.M.; Bates, J.K.; Abrajano, T.A. Jr.; Bradley, J.P.

1989-01-01

Test samples of 131 type glass that have been reacted for extended time periods in water vapor atmospheres of different relative humidities and in static leaching solution have been examined to characterize the reaction products. Analytical electron microscopy (AEM) was used to characterize the leached samples, and a complicated layer structure was revealed, consisting of phases that precipitate from solution and also form within the residual glass layer. The precipitated phases include birnes-site, saponite, and an iron species, while the intralayer phases include the U-Ti containing phase brannerite distributed within a matrix consisting of bands of an Fe rich montmorillonite clay. Comparison is made between samples leached at 40 degrees C for 4 years with those leached at 90 degrees C for 3-1/2 years. The samples reacted in water vapor were examined with scanning electron microscopy and show increasing reaction as both the relative humidity and time of reaction increases. These samples also contain a layered structure with reaction products on the glass surface. 15 refs., 5 figs

Stability limit of liquid water in metastable equilibrium with subsaturated vapors.

Science.gov (United States)

Wheeler, Tobias D; Stroock, Abraham D

2009-07-07

A pure liquid can reach metastable equilibrium with its subsaturated vapor across an appropriate membrane. This situation is analogous to osmotic equilibrium: the reduced chemical potential of the dilute phase (the subsaturated vapor) is compensated by a difference in pressure between the phases. To equilibrate with subsaturated vapor, the liquid phase assumes a pressure that is lower than its standard vapor pressure, such that the liquid phase is metastable with respect to the vapor phase. For sufficiently subsaturated vapors, the liquid phase can even assume negative pressures. The appropriate membrane for this metastable equilibrium must provide the necessary mechanical support to sustain the difference in pressure between the two phases, limit nonhomogeneous mechanisms of cavitation, and resist the entry of the dilutant (gases) into the pure phase (liquid). In this article, we present a study of the limit of stability of liquid water--the degree of subsaturation at which the liquid cavitates--in this metastable state within microscale voids embedded in hydrogel membranes. We refer to these structures as vapor-coupled voids (VCVs). In these VCVs, we observed that liquid water cavitated when placed in equilibrium with vapors of activity aw,vapairhumiditynucleation theory or molecular simulations (Pcav=-140 to -180 MPa). To determine the cause of the disparity between the observed and predicted stability limit, we examine experimentally the likelihood of several nonhomogeneous mechanisms of nucleation: (i) heterogeneous nucleation caused by hydrophobic patches on void walls, (ii) nucleation caused by the presence of dissolved solute, (iii) nucleation caused by the presence of pre-existing vapor nuclei, and (iv) invasion of air through the hydrogel membrane into the voids. We conclude that, of these possibilities, (i) and (ii) cannot be discounted, whereas (iii) and (iv) are unlikely to play a role in determining the stability limit.

Effect of hydrogen on the microstructure, mechanical properties and phase transformations in austenitic steels

International Nuclear Information System (INIS)

Li, Y.Y.; Xing, Z.S.

1989-01-01

Effect of high-pressure hydrogen charging on the microstructure, mechanical properties and phase transformations in austenitic steels has been investigated and discussed. The results show that the strength and impact toughness of the steels increase slightly and that the ductility decreases after hydrogen charging. The existence of δ-ferrite deteriorates the resistance to hydrogen embrittlement (HE) of the steels. The occurrence of carbide in the steel resulted from aging reduces the ductility of the steel and makes the steel sensitive to HE. The existence of sufficient hydrogen promotes the ε-martensitic transformation and suppresses the α'-martensitic transformation. The permeabilities and diffusivities of hydrogen in the steels have also been determined. (orig.)

Vapor-droplet flow equations

International Nuclear Information System (INIS)

Crowe, C.T.

1975-01-01

General features of a vapor-droplet flow are discussed and the equations expressing the conservation of mass, momentum, and energy for the vapor, liquid, and mixture using the control volume approach are derived. The phenomenological laws describing the exchange of mass, momentum, and energy between phases are also reviewed. The results have application to development of water-dominated geothermal resources

Evaporation and Condensation Flows of a Vapor-Gas Mixture from or onto the Condensed Phase with an Internal Structure

National Research Council Canada - National Science Library

Onishi, Yoshimoto; Yamada, Ken

2005-01-01

Transient motions of a vapor-gas mixture due to the evaporation and condensation processes from or onto the plane condensed phase, with a temperature field as its internal structure, have been studied...

Tunnel currents produced by defects in p-n junctions of GaAs grown on vapor phase

International Nuclear Information System (INIS)

Barrales Guadarrama, V R; Rodríguez Rodriguez, E M; Barrales Guadarrama, R; Reyes Ayala, N

2017-01-01

With the purpose of assessing if the epitaxy on vapor phase technique “Close Space Vapor Deposition (CSVT)” is capable of produce thin films with adequate properties in order to manufacture p-n junctions, a study of invert and direct current was developed, in a temperature range of 94K to 293K, to junctions p-n of GaAs grown through the technique CSVT. It is shown that the dominant current, within the range 10 -7 to 10 -2 A, is consistent with a currents model of the type of internal emission form field, which shows these currents are due to the presence of localized states in the band gap. (paper)

Monofilament Vaporization Propulsion (MVP) System, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Monofilament Vaporization Propulsion (MVP) is a new propulsion technology targeted at secondary payload applications. It does not compromise on performance while...

Hydrogen isotopic fractionation during crystallization of the terrestrial magma ocean

Science.gov (United States)

Pahlevan, K.; Karato, S. I.

2016-12-01

Models of the Moon-forming giant impact extensively melt and partially vaporize the silicate Earth and deliver a substantial mass of metal to the Earth's core. The subsequent evolution of the terrestrial magma ocean and overlying vapor atmosphere over the ensuing 105-6 years has been largely constrained by theoretical models with remnant signatures from this epoch proving somewhat elusive. We have calculated equilibrium hydrogen isotopic fractionation between the magma ocean and overlying steam atmosphere to determine the extent to which H isotopes trace the evolution during this epoch. By analogy with the modern silicate Earth, the magma ocean-steam atmosphere system is often assumed to be chemically oxidized (log fO2 QFM) with the dominant atmospheric vapor species taken to be water vapor. However, the terrestrial magma ocean - having held metallic droplets in suspension - may also exhibit a much more reducing character (log fO2 IW) such that equilibration with the overlying atmosphere renders molecular hydrogen the dominant H-bearing vapor species. This variable - the redox state of the magma ocean - has not been explicitly included in prior models of the coupled evolution of the magma ocean-steam atmosphere system. We find that the redox state of the magma ocean influences not only the vapor speciation and liquid-vapor partitioning of hydrogen but also the equilibrium isotopic fractionation during the crystallization epoch. The liquid-vapor isotopic fractionation of H is substantial under reducing conditions and can generate measurable D/H signatures in the crystallization products but is largely muted in an oxidizing magma ocean and steam atmosphere. We couple equilibrium isotopic fractionation with magma ocean crystallization calculations to forward model the behavior of hydrogen isotopes during this epoch and find that the distribution of H isotopes in the silicate Earth immediately following crystallization represents an oxybarometer for the terrestrial

Characterization of the martensite phase formed during hydrogen ion irradiation in austenitic stainless steel

Science.gov (United States)

Jin, Hyung-Ha; Lim, Sangyeob; Kwon, Junhyun

2017-10-01

Microstructural changes in austenitic stainless steel caused by hydrogen ion irradiation were investigated using transmission electron microscopy (TEM). It has been confirmed that the irradiation induced the formation of martensite along the grain boundary; the martensite phase exhibited a crystal orientation relationship with the adjacent austenite phase. The results of this study also indicate that the concentration of Cr in the martensite phase is lower compared to that in the austenite matrix. The TEM results showed the development of asymmetric radiation-induced segregation (RIS) near the grain boundary, which leads to local changes in the chemical composition such as reduction of Cr near the grain boundary. The asymmetric RIS serves as a prerequisite for the formation of the martensite under hydrogen irradiation.

A forced convective heat transfer model for two-phase hydrogen systems

International Nuclear Information System (INIS)

Pasch, J.; Anghaie, S.

2007-01-01

A consistent event in the use of hydrogen in nuclear thermal propulsion is film boiling, in which the wall heat is so large that liquid can not exist at the wall. Instead, vapor interfaces with the wall and liquid flows in the core of the duct. To better understand heat transfer under these conditions, a select set of hydrogen test data from these conditions are analyzed. This paper presents the results of an extensive literature search for film boiling heat transfer models. A representative cross-section of these models is then applied to the data. The heat transfer coefficient data were found difficult to predict and highly dependent upon the flow regime. Pre-critical heat flux correlations completely fail to predict the heat transfer of inverted film boiling conditions. Pool boiling models for inverted film boiling also are inappropriate. Current force convection models for inverted film boiling, while far better than the previous two classes of models, still generate large predictive errors. It is recommended that for the inverted annular film boiling flow regime the modified equilibrium bulk Dittus-Boelter model be used. For agitated inverted annular film boiling and dispersed film boiling regimes associated with positive equilibrium qualities, the Hendricks model should be used. (A.C.)

{sup 2}H NMR study of phase transition and hydrogen dynamics in hydrogen bonded organic antiferroelectric 55DMBP-H{sub 2}ca

Energy Technology Data Exchange (ETDEWEB)

Asaji, Tetsuo, E-mail: asaji@chs.nihon-u.ac.jp; Hara, Masamichi; Fujimori, Hiroki [Nihon University, Department of Chemistry, College of Humanities and Sciences (Japan); Hagiwara, Shoko [Nihon University, Department of Chemistry, Graduate School of Integrated Basic Sciences (Japan)

2016-12-15

Hydrogen dynamics in one-dimensional hydrogen bonded organic antiferroelectric, co-crystal of 5,5’-dimethyl-2,2’-bipyridine (55DMBP) and chloranilic acid (H{sub 2}ca), was investigated by use of {sup 2}H high resolution solid-state NMR. The two types of hydrogen bonds O-H …N and N{sup +}-H …O{sup −} in the antiferroelectric phase were clearly observed as the splitting of the side band of the {sup 2}H MAS NMR spectra of the acid-proton deuterated compound 55DMBP-D {sub 2}ca. The temperature dependence of the spin-lattice relaxation time was measured of the N{sup +}-H and O-H deuterons, respectively. It was suggested that the motion of the O-H deuteron is already in the antiferroelectric phase in the fast-motion regime in the NMR time scale, while that of the N{sup +}-H deuteron is a slow motion. In the high-temperature paraelectric phase, the both deuterons become equivalent and the fast motion of the deuterons in the NMR time scale is taking place with the activation energy of 7.9 kJ mol{sup −1}.

Investigation of the explosion hazards of hydrogen sulphide. Phase II

International Nuclear Information System (INIS)

Moen, I.O.

1986-01-01

The results of Phase II of an investigation directed towards quantifying the explosive hazards of hydrogen sulphide in air are described. This second and final phase is focussed on flame acceleration until detonation in obstacle environments simulating a heavy water plant. The results of previous experimental tests, both small and large scale, are compiled and summarized and the results of a series of flame acceleration tests are reported. These tests were performed in order to assess the potential for damaging explosions in simulated industrial environments with repeated obstacles. The experimented apparatus consisted of a channel 1.8 m x 1.8 m in cross-section and 15.5 m long. Two obstacle configurations were tested, corresponding to 500 mm or 220 mm diameter tubes mounted across the channel at regular intervals. Tests were performed with acetylene, propane and hydrogen sulphide fuels. The results of numerical simulation are also reported and compared with the observed results. Scaling predictions are also made. The key results are summarized in the main text, and detailed reports covering the various aspects are included in three annexes

Investigation of the explosion hazards of hydrogen sulphide. (Phase II)

International Nuclear Information System (INIS)

Moen, I.O.

1986-01-01

The results of Phase II of an investigation directed towards quantifying the explosive hazards of hydrogen sulphide in air are described. This second and final phase is focussed on flame acceleration until detonation in obstacle environments simulating a heavy water plant. The results of previous experimental tests, both small and large scale, are compiled and summarized and the results of a series of flame acceleration tests are reported. These tests were performed in order to assess the potential for damaging explosions in simulated industrial environments with repeated obstacles. The experimented apparatus consisted of a channel 1.8 m x 1.8 m in cross-section and 15.5 m long. Two obstacle configurations were tested, corresponding to 500 mm or 220 mm diameter tubes mounted across the channel at regular intervals. Tests were performed with acetylene, propane and hydrogen sulphide fuels. The results of numerical simulation are also reported and compared with the observed results. Scaling predictions are also made. The key results are summarized in the main text, and detailed reports covering the various aspects are included in three annexes

Detection of vapor-phase organophosphate threats using wearable conformable integrated epidermal and textile wireless biosensor systems.

Science.gov (United States)

Mishra, Rupesh K; Martín, Aida; Nakagawa, Tatsuo; Barfidokht, Abbas; Lu, Xialong; Sempionatto, Juliane R; Lyu, Kay Mengjia; Karajic, Aleksandar; Musameh, Mustafa M; Kyratzis, Ilias L; Wang, Joseph

2018-03-15

Flexible epidermal tattoo and textile-based electrochemical biosensors have been developed for vapor-phase detection of organophosphorus (OP) nerve agents. These new wearable sensors, based on stretchable organophosphorus hydrolase (OPH) enzyme electrodes, are coupled with a fully integrated conformal flexible electronic interface that offers rapid and selective square-wave voltammetric detection of OP vapor threats and wireless data transmission to a mobile device. The epidermal tattoo and textile sensors display a good reproducibility (with RSD of 2.5% and 4.2%, respectively), along with good discrimination against potential interferences and linearity over the 90-300mg/L range, with a sensitivity of 10.7µA∙cm 3 ∙mg -1 (R 2 = 0.983) and detection limit of 12mg/L in terms of OP air density. Stress-enduring inks, used for printing the electrode transducers, ensure resilience against mechanical deformations associated with textile and skin-based on-body sensing operations. Theoretical simulations are used to estimate the OP air density over the sensor surface. These fully integrated wearable wireless tattoo and textile-based nerve-agent vapor biosensor systems offer considerable promise for rapid warning regarding personal exposure to OP nerve-agent vapors in variety of decentralized security applications. Copyright © 2017 Elsevier B.V. All rights reserved.

The impact of hydrogen and oxidizing impurities in chemical vapor deposition of graphene on copper

Science.gov (United States)

Choubak, Saman

Graphene, the single-atom layer of carbon, has attracted scientists and technologists due to its outstanding physical and opto/electronic properties. The use of graphene in practical applications requires a reliable and cost-effective method to produce large area graphene films with low defects and controlled thicknesses. Direct growth of graphene using chemical vapor deposition (CVD) on copper, in which carbonaceous gaseous species react with the metal substrate in the presence of hydrogen at high temperatures (850-1100° C), led to high coverage of high quality graphene, opening up a promising future for methods of this type and a large step towards commercial realization of graphene products. The present thesis deals with the synthesis of graphene via low pressure CVD (LP-CVD) on copper catalyst using methane as the carbon precursor. The focus is mainly on the determination of the role of hydrogen and oxidizing impurities during graphene formation with an ultimate purpose: to elucidate a viable and reproducible method for the production of high quality graphene films compatible with industrial manufacturing processes. The role of molecular hydrogen in graphene CVD is explored in the first part of the thesis. Few studies claimed that molecular hydrogen etches graphene films on copper by conducting annealing experiments. On the other hand, we speculated that this graphene etching reaction is due to the presence of trace amount of oxygen in the furnace atmosphere. Thus, we took another approach and designed systematic annealing experiments to investigate the role of hydrogen in the etching reaction of graphene on copper foils. No evidence of graphene etching on copper was observed when purified ultra high purity (UHP) hydrogen was used at 825 °C and 500 mTorr. Nevertheless, graphene films exposed to the unpurified UHP hydrogen were etched due to the presence of oxidizing impurities. Our results show that hydrogen is not responsible for graphene etching reaction

Nitrogen doping efficiency during vapor phase epitaxy of 4H-SiC

Energy Technology Data Exchange (ETDEWEB)

Rowland, L.B.; Brandt, C.D. [Northrop Grumman Science and Technology Center, Pittsburgh, PA (United States); Burk, A.A. Jr. [Northrop Grumman Advanced Technology Lab., Baltimore, MD (United States)

1998-06-01

This work examines the interrelationships among doping efficiency, mole fraction, and Si/C ratio for intentional doping of 4H-SiC during vapor phase epitaxy using N{sub 2}. For four Si/C ratios, the doping concentration increased linearly as a function of increasing N{sub 2} partial pressure with a slope of 1.0 {+-} 0.03. Variation of propane mole fraction while the SiH{sub 4} and N{sub 2} mole fractions were kept constant revealed two different modes of nitrogen incorporation, corresponding to carbon-rich and silicon-rich conditions. (orig.) 14 refs.

Vapor pressures and vapor compositions in equilibrium with hypostoichiometric plutonium dioxide at high temperatures

International Nuclear Information System (INIS)

Green, D.W.; Fink, J.K.; Leibowitz, L.

1982-01-01

Vapor pressures and vapor compositions have been calculated for 1500 less than or equal to T less than or equal to 4000 0 K. Thermodynamic functions for the condensed phase and for each of the gaseous species were combined with an oxygen-potential model extended into the liquid region to obtain the partial pressures of O 2 , O, Pu, PuO and PuO 2 . The calculated oxygen pressures increase very rapidly as stoichiometry is approached. At least part of this increase is a consequence of the exclusion of Pu 6 + from the oxygen-potential model. No reliable method was found to estimate the importance of this ion. As a result of large oxygen potentials at high temperatures, extremely high total pressures that produced unreasonably high vapor densities were calculated. The highest temperature was therefore limited to 400 K, and the range of oxygen-to-metal ratios was limited to 1.994 to 1.70. These calculations show that vapor in equilibrium with hypostoichiometric plutonium dioxide is poorly approximated as PuO 2 for most of the temperture and composition range of interest. The vapor is much more oxygen-rich than the condensed phase. Implications for the (U,Pu)O/sub 2-x/ system are discussed

Chemical vapor deposition of TiB2 on graphite

International Nuclear Information System (INIS)

Pierson, H.O.; Randich, E.; Mattox, D.M.

1978-01-01

This study is an experimental investigation of the coating of graphite with TiB 2 by chemical vapor deposition (CVD) using the hydrogen reduction of BCl 3 and TiCl 4 at 925 0 C and 1 atm. Reasonable matching of the thermal expansion of TiB 2 and graphite was necessary to eliminate cracking. A suitable graphite was POCO DFP-1. Adhesion was improved by having a slightly rough graphite surface. Heat treatment at 2000 0 C and above resulted in a certain degree of diffusion. No melting or solid phases other than TiB 2 and graphite were detected up to 2400 0 C. The coatings showed no failure when repeatedly submitted to an electron beam pulse of 2 KW/cm 2 for 0.8 sec

ZnO Nanowires Synthesized by Vapor Phase Transport Deposition on Transparent Oxide Substrates

Directory of Open Access Journals (Sweden)

Taylor Curtis

2010-01-01

Full Text Available Abstract Zinc oxide nanowires have been synthesized without using metal catalyst seed layers on fluorine-doped tin oxide (FTO substrates by a modified vapor phase transport deposition process using a double-tube reactor. The unique reactor configuration creates a Zn-rich vapor environment that facilitates formation and growth of zinc oxide nanoparticles and wires (20–80 nm in diameter, up to 6 μm in length, density <40 nm apart at substrate temperatures down to 300°C. Electron microscopy and other characterization techniques show nanowires with distinct morphologies when grown under different conditions. The effect of reaction parameters including reaction time, temperature, and carrier gas flow rate on the size, morphology, crystalline structure, and density of ZnO nanowires has been investigated. The nanowires grown by this method have a diameter, length, and density appropriate for use in fabricating hybrid polymer/metal oxide nanostructure solar cells. For example, it is preferable to have nanowires no more than 40 nm apart to minimize exciton recombination in polymer solar cells.

Report of the specialists' workshop on phase transition studies on hydrogen-bonded crystals by neutron and X-ray diffractometries

International Nuclear Information System (INIS)

Tokunaga, M.; Shibuya, I.

1989-01-01

The report carries a total of 15 studies on hydrogen-bonded crystals made by means of neutron/X-ray diffraction which were presented at a technical study meeting held on December 12 and 13, 1988, at the Research Reactor Institute of Kyoto University. The report covers 'introduction', 'linear relation between transition temperature and hydrogen-bond length in KDP type crystals', 'X-ray study of crystal structure under high pressure in DKDP', 'crystal structure of ADP in the paraelectric phase', 'crystal structure of Rochelle salt in the paraelectric phase', 'distortion of AsO 4 in KDA', 'study of phase transition in KDP family by dielectric dispersion', 'dielectric relaxation and phase transition in ice Ih', 'Raman scattering study of KDP', 'mechanism of phase transition in KDP by Raman scattering study under high pressure-reinvestigation of the Peercy's conclusion', 'localized modes of proton in KDP', 'hyper-Raman scattering study of hydrogen-bonded crystals', 'phase transition of CDP', 'the 180deg law in phase diagram', and 'comments'. (N.K.)

Test and Approval Center for Fuel Cell and Hydrogen Technologies: Phase I. Initiation

DEFF Research Database (Denmark)

already spent on these technologies also lead to commercial success. The project ‘Test and Approval Center for Fuel Cell and Hydrogen Technologies: Phase I. Initiation’ was aiming at starting with the Establishment of such a center. The following report documents the achievements within the project...... of the fluctuating wind energy. As the fuel cell and hydrogen technologies come closer to commercialization, development of testing methodology, qualified testing and demonstration become increasingly important. Danish industrial players have expressed a strong need for support in the process to push fuel cell...... and hydrogen technologies from the research and development stage into the commercial domain. A Center to support industry with test, development, analysis, approval, certification, consultation, and training in the areas of fuel cell and hydrogen technologies was needed. Denmark has demonstrated leading...

Modeling of gas-phase chemistry in the chemical vapor deposition of polysilicon in a cold wall system

Energy Technology Data Exchange (ETDEWEB)

Toprac, A.J.; Edgar, T.F.; Trachtenberg, I. (Univ. of Texas, Austin, TX (United States). Dept. of Chemical Engineering)

1993-06-01

The relative contribution of gas-phase chemistry to deposition processes is an important issue both from the standpoint of operation and modeling of these processes. In polysilicon deposition from thermally activated silane in a cold wall rapid thermal chemical vapor deposition (RTCVD) system, the relative contribution of gas-phase chemistry to the overall deposition rate was examined by a mass-balance model. Evaluating the process at conditions examined experimentally, the model indicated that gas-phase reactions may be neglected to good accuracy in predicting polysilicon deposition rate. The model also provided estimates of the level of gas-phase generated SiH[sub 2] associated with deposition on the cold-process chamber walls.

Development of an arsenic trioxide vapor and arsine sampling train

International Nuclear Information System (INIS)

Crecelius, E.A.; Sanders, R.W.

1980-01-01

A sampling train was evaluated using 76 As tracer for the measurement of particulate arsenic, arsine, and arsenic trioxide vapor in air and industrial process gas streams. In this train, a demister was used to remove droplets of water and oil, and particulates were removed by a filter. Vapor arsenic trioxide was collected in an impinger solution, and arsine gas was collected on silvered quartz beads. Hydrogen sulfide gas did not reduce the arsine trapping efficiency of the silvered beads, and charcoal proved to be an effective trap for both arsine and arsenic trioxide vapor. 1 figure, 2 tables

Experimental study of hydrogen formation and recombination under postulated LMFBR accident conditions

International Nuclear Information System (INIS)

Wierman, R.W.; Hilliard, R.K.

1976-01-01

The report describes an experimental study of hydrogen jets burning in air, hydrogen formation by sodium in humid air atmospheres, and the effects of nitrogen, water vapor sodium vapor/aerosol, jet velocity, and jet temperature on ignition of hydrogen jets. The results show that hydrogen jets above 1450 0 F (788 0 C) issuing into an air atmosphere need no ignition source for ignition, a hydrogen jet temperature higher than 500 0 F (260 0 C) and containing more than six grams of sodium per cubic meter of jet gas will auto-ignite in an air atmosphere, the burning efficiency of a hydrogen jet decreases rapidly to zero when the oxygen concentration outside the flame region approaches 10 percent, and hydrogen does not form from a sodium-nitrogen jet issuing into a humid air atmosphere until the ratio O 2 /(H 2 O + O 2 ) is less than 0.5

Effects of Hydrogen Charging on the Phase Transformation of Martensitic NiTi Shape Memory Alloy Wires

Science.gov (United States)

Snir, Yoav; Carl, Matthew; Ley, Nathan A.; Young, Marcus L.

2017-12-01

Ti-rich martensitic NiTi shape memory alloy (SMA) wires of 0.5 mm diameter were tested under hydrogen-charging conditions to reveal the effects on phase transformation. Hydrogen charging was performed by immersion testing for several durations. The SMA wires were characterized by differential scanning calorimetry (DSC), scanning electron microscopy with energy dispersive spectroscopy, and synchrotron radiation X-ray diffraction (SR-XRD) for the the as-received, polished, and hydrogen-charged conditions. The DSC revealed the phase-transformation behavior of the NiTi SMA wires. Single and triple heating/cooling cycles in the DSC show the relationship between hydrogen and temperature on the material. Five distinct peaks (peaks I-V) are observed during heating/cooling in the DSC. Peak I corresponds to the martensite-to-austenite (M → A) transformation. Peaks II, III, and IV are related to hydrogen charging. Peak II appears at about 210-230 °C, while peaks III and IV appear at about 350 and 440 °C, respectively. These higher temperature peaks, peaks II-IV, were observed for the first time for a martensitic NiTi SMA due to the large temperature range covered using the DSC. Only one peak (peak V) appears during cooling and corresponds to the austenite-to-martensite transformation peak. Ex situ and in situ SR-XRD revealed the phases and the crystallographic relationship to peaks I-V in the DSC.

Achievement report for 1st phase (fiscal 1974-80) Sunshine Program research and development - Hydrogen energy. Research on hydrogen-fueled engine; 1974-1980 nendo suiso energy seika hokokusho. Suiso nenryo gendoki no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-03-01

The research aims to acquire data necessary for designing an engine, which is fueled by hydrogen stored in metal hydrides, for an automobile power plant. It covers the characteristics of hydrogen and their theoretical examination, basic studies on the turbulent mixing and combustion of hydrogen, research using a single-cylinder engine, changes brought into engine performance upon addition of hydrogen, etc. When hydrogen is burned in a spark ignition engine, flashback to the induction system is prone to occur. But this is prevented by directly injecting nothing but hydrogen into the cylinder. In the case of hydrogen fuel, there is the problem of thermal NO generation. Since a hydrogen/air flame is higher in temperature than flames in the case of other fuels, it generates more NO. As techniques for lowering the flame temperature, there are lean fuel combustion, water vapor injection, delayed ignition timing, etc. For the improvement of power and performance, increasing the engine revolution and pressurizing the inlet air are the methods, but both have their own shortcomings. An engine equipped with a third valve is experimentally constructed in this research, which is theoretically free of flashback, suppresses a reduction in the inlet air volume, and necessitates no high-pressure injection system. (NEDO)

Penicillium expansum Inhibition on Bread by Lemongrass Essential Oil in Vapor Phase.

Science.gov (United States)

Mani López, Emma; Valle Vargas, Georgina P; Palou, Enrique; López Malo, Aurelio

2018-02-23

The antimicrobial activity of lemongrass ( Cymbopogon citratus) essential oil (EO) in the vapor phase on the growth of Penicillium expansum inoculated on bread was evaluated, followed by a sensory evaluation of the bread's attributes after EO exposure. The lemongrass EO was extracted from dry leaves of lemongrass by microwave-assisted steam distillation. The chemical composition of the lemongrass EO was determined using a gas chromatograph coupled to a mass spectrometer. The refractive index and specific gravity of the EO were also determined. Bread was prepared and baked to reach two water activity levels, 0.86 or 0.94, and then 10 μL of P. expansum spore (10 6 spores per mL) suspension was inoculated on the bread surface. Concentrations of lemongrass EO were tested from 125 to 4,000 μL/L air , whereas mold radial growth was measured for 21 days. For sensory evaluation, breads were treated with lemongrass EO vapor at 0, 500, or 1,000 μL/L air for 48 h and tested by 25 untrained panelists. The EO yield was 1.8%, with similar physical properties to those reported previously. Thirteen compounds were the main components in the EO, with citral being the major compound. P. expansum was inhibited for 21 days at 20°C with 750 μL of EO/L air , and its inhibition increased with increasing concentrations of EO. Sensory acceptance of bread exposed to vapor concentrations of 500 or 1,000 μL of EO/L air or without EO was favorable; similar and no significant differences ( P > 0.05) were observed among them.

Carbon-coated ceramic membrane reactor for production of hydrogen via aqueous phase reforming of sorbitol

NARCIS (Netherlands)

Neira d'Angelo, M.F.; Ordomskiy, V.; Schouten, J.C.; Schaaf, van der J.; Nijhuis, T.A.

2014-01-01

Hydrogen was produced by aqueous-phase reforming (APR) of sorbitol in a carbon-on-alumina tubular membrane reactor (4 nm pore size, 7 cm long, 3 mm internal diameter) that allows the hydrogen gas to permeate to the shell side, whereas the liquid remains in the tube side. The hydrophobic nature of

PHASE BEHAVIOR OF LIGHT GASES IN HYDROCARBON AND AQUEOUS SOLVENTS

Energy Technology Data Exchange (ETDEWEB)

KHALED A.M. GASEM; ROBERT L. ROBINSON, JR.

1998-08-31

Under previous support from the Department of Energy, an experimental facility has been established and operated to measure valuable vapor-liquid equilibrium data for systems of interest in the production and processing of coal fluids. To facilitate the development and testing of models for prediction of the phase behavior for such systems, we have acquired substantial amounts of data on the equilibrium phase compositions for binary mixtures of heavy hydrocarbon solvents with a variety of supercritical solutes, including hydrogen, methane, ethane, carbon monoxide, and carbon dioxide. The present project focuses on measuring the phase behavior of light gases and water in Fischer-Tropsch (F-T) type solvents at conditions encountered in indirect liquefaction processes and evaluating and developing theoretically-based correlating frameworks to predict the phase behavior of such systems. Specific goals of the proposed work include (a) developing a state-of-the-art experimental facility to permit highly accurate measurements of equilibrium phase compositions (solubilities) of challenging F-T systems, (b) measuring these properties for systematically-selected binary, ternary and molten F-T wax mixtures to provide critically needed input data for correlation development, (c) developing and testing models suitable for describing the phase behavior of such mixtures, and (d) presenting the modeling results in generalized, practical formats suitable for use in process engineering calculations. During the present period, the Park-Gasem-Robinson (PGR) equation of state (EOS) has been modified to improve its volumetric and equilibrium predictions. Specifically, the attractive term of the PGR equation was modified to enhance the flexibility of the model, and a new expression was developed for the temperature dependence of the attractive term in this segment-segment interaction model. The predictive capability of the modified PGR EOS for vapor pressure, and saturated liquid and

Triple sorbent thermal desorption/gas chromatography/mass spectrometry determination of vapor phase organic contaminants

International Nuclear Information System (INIS)

Ma, C.Y.; Skeen, J.T.; Dindal, A.B.; Higgins, C.E.; Jenkins, R.A.

1994-05-01

A thermal desorption/ps chromatography/mass spectrometry (TD/GC/MS) has been evaluated for the determination of volatile organic compounds (VOCS) in vapor phase samples using Carbosieve S-III/Carbotrap/Carotrap C triple sorbent traps (TST) similar to those available from a commercial source. The analysis was carried out with a Hewlett-Packard 5985A or 5995 GC/MS system with a modified injector to adapt an inhouse manufactured short-path desorber for transferring desorbate directly onto a cryofocusing loop for subsequent GC/MS analysis. Vapor phase standards generated from twenty six compounds were used for method validation, including alkanes, alkyl alcohols, alkyl ketones, and alkyl nitrites, a group of representative compounds that have previously been identified in a target airborne matrix. The method was validated based on the satisfactory results in terms of reproducibility, recovery rate, stability, and linearity. A relative, standard deviation of 0.55 to 24.3 % was obtained for the entire TD process (generation of gas phase standards, spiking the standards on and desorbing from TST) over a concentration range of 20 to 500 ng/trap. Linear correlation coefficients for the calibration curves as determined ranged from 0.81 to 0.99 and limits of detection ranged from 3 to 76 ng. For a majority of standards, recoveries of greater than 90% were observed. For three selected standards spiked on TSTS, minimal loss (10 to 22%) was observed after storing the spiked in, a 4 degree C refrigerator for 29 days. The only chromatographable artifact observed was a 5% conversion of isopropanol to acetone. The validated method been successfully applied, to the determination of VOCs collected from various emission sources in a diversified concentration range

Radio-frequency-modulated Rydberg states in a vapor cell

Science.gov (United States)

Miller, S. A.; Anderson, D. A.; Raithel, G.

2016-05-01

We measure strong radio-frequency (RF) electric fields using rubidium Rydberg atoms prepared in a room-temperature vapor cell as field sensors. Electromagnetically induced transparency is employed as an optical readout. We RF-modulate the 60{{{S}}}1/2 and 58{{{D}}}5/2 Rydberg states with 50 and 100 MHz fields, respectively. For weak to moderate RF fields, the Rydberg levels become Stark-shifted, and sidebands appear at even multiples of the driving frequency. In high fields, the adjacent hydrogenic manifold begins to intersect the shifted levels, providing rich spectroscopic structure suitable for precision field measurements. A quantitative description of strong-field level modulation and mixing of S and D states with hydrogenic states is provided by Floquet theory. Additionally, we estimate the shielding of DC electric fields in the interior of the glass vapor cell.

Tank vapor sampling and analysis data package for tank 241-C-106 waste retrieval sluicing system process test phase III

Energy Technology Data Exchange (ETDEWEB)

LOCKREM, L.L.

1999-08-13

This data package presents sampling data and analytical results from the March 28, 1999, vapor sampling of Hanford Site single-shell tank 241-C-106 during active sluicing. Samples were obtained from the 296-C-006 ventilation system stack and ambient air at several locations. Characterization Project Operations (CPO) was responsible for the collection of all SUMMATM canister samples. The Special Analytical Support (SAS) vapor team was responsible for the collection of all triple sorbent trap (TST), sorbent tube train (STT), polyurethane foam (PUF), and particulate filter samples collected at the 296-C-006 stack. The SAS vapor team used the non-electrical vapor sampling (NEVS) system to collect samples of the air, gases, and vapors from the 296-C-006 stack. The SAS vapor team collected and analyzed these samples for Lockheed Martin Hanford Corporation (LMHC) and Tank Waste Remediation System (TWRS) in accordance with the sampling and analytical requirements specified in the Waste Retrieval Sluicing System Vapor Sampling and Analysis Plan (SAP) for Evaluation of Organic Emissions, Process Test Phase III, HNF-4212, Rev. 0-A, (LMHC, 1999). All samples were stored in a secured Radioactive Materials Area (RMA) until the samples were radiologically released and received by SAS for analysis. The Waste Sampling and Characterization Facility (WSCF) performed the radiological analyses. The samples were received on April 5, 1999.

Laves phase UTi2 stabilized by hydrogen and its magnetic properties

Science.gov (United States)

Buturlim, V.; Havela, L.; Sowa, S.; Kim-Ngan, N.-. T. H.; Paukov, M.; Drozdenko, D.; Dopita, M.; Minarik, P.; Mašková, S.

2018-05-01

We describe basic magnetic properties of uranium-based hydrides UTi2Hx, reported in literature as a cubic Laves phase, although the UTi2 binary phase does not exist. Using a high-temperature hydrogenation, we successfully synthesized two types of such hydrides, presumably with different H concentrations, one with a smaller lattice parameter a = 850.3 pm, which is a paramagnet close to the verge of magnetic ordering, the other with a = 858.8 pm, with a ferromagnetic ground state and ordering temperature TC = 54 K.

Spray Pyrolyzed Polycrystalline Tin Oxide Thin Film as Hydrogen Sensor

Directory of Open Access Journals (Sweden)

Ganesh E. Patil

2010-09-01

Full Text Available Polycrystalline tin oxide (SnO2 thin film was prepared by using simple and inexpensive spray pyrolysis technique (SPT. The film was characterized for their phase and morphology by X-ray diffraction (XRD and scanning electron microscopy (SEM, respectively. The crystallite size calculated from the XRD pattern is 84 nm. Conductance responses of the polycrystalline SnO2 were measured towards gases like hydrogen (H2, liquefied petroleum gas (LPG, ethanol vapors (C2H5OH, NH3, CO, CO2, Cl2 and O2. The gas sensing characteristics were obtained by measuring the sensor response as a function of various controlling factors like operating temperature, operating voltages (1 V, 5 V, 10 V 15 V, 20 V and 25 V and concentration of gases. The sensor response measurement showed that the SnO2 has maximum response to hydrogen. Furthermore; the SnO2 based sensor exhibited fast response and good recovery towards hydrogen at temperature 150 oC. The result of response towards H2 reveals that SnO2 thin film prepared by SPT would be a suitable material for the fabrication of the hydrogen sensor.

Hydrogen storage properties of the Zintl phase alloy SrAl{sub 2} doped with TiF{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Zhu Yunfeng, E-mail: yfzhu@njut.edu.c [College of Materials Science and Engineering, Nanjing University of Technology, 5 Xinmofan Road, Nanjing 210009 (China); Zhang Wei; Liu Zhibing; Li Liquan [College of Materials Science and Engineering, Nanjing University of Technology, 5 Xinmofan Road, Nanjing 210009 (China)

2010-03-04

In this paper, the structural and hydrogenation characteristics of TiF{sub 3}-doped Zintl phase alloy SrAl{sub 2} were studied by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and hydrogenation measurements. The results show that the hydrogenation kinetics of the Zintl phase alloy SrAl{sub 2} is improved greatly after doping with TiF{sub 3}. By adjusting the doping amount and ball milling time, the optimal doping conditions were obtained. The catalytic mechanism of TiF{sub 3} for the hydrogenation of SrAl{sub 2} was also investigated. SrAl{sub 2} does not react with TiF{sub 3} during the ball milling process. However, it reacts with TiF{sub 3} to form SrAl{sub 2}H{sub 2}, SrF{sub 2}, SrAl{sub 4} and Ti during the hydrogenation process, among which Ti plays an important role in the hydrogenation kinetics of SrAl{sub 2}.

Hanford soil partitioning and vapor extraction study

International Nuclear Information System (INIS)

Yonge, D.; Hossain, A.; Cameron, R.; Ford, H.; Storey, C.

1996-07-01

This report describes the testing and results of laboratory experiments conducted to assist the carbon tetrachloride soil vapor extraction project operating in the 200 West Area of the Hanford Site in Richland, Washington. Vapor-phase adsorption and desorption testing was performed using carbon tetrachloride and Hanford Site soils to estimate vapor-soil partitioning and reasonably achievable carbon tetrachloride soil concentrations during active vapor extractions efforts at the 200 West Area. (CCl 4 is used in Pu recovery from aqueous streams.)

Bionanomaterials and Bioinspired Nanostructures for Selective Vapor Sensing

Science.gov (United States)

2013-04-03

agricultural crops. To meet the requirements for these and other demanding applications, new sensing approaches with improved sensor selectivity are required...of these vapors with key side- chain amino acids. DNT-binding peptide receptors were further conjugated to an oligo(ethylene glycol) hydrogel for vapor...coefficient for DNT over TNT vapor. Vapor-phase binding performance was attributed to the ability of the oligo(ethylene glycol) hydrogel to maintain the

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

International Nuclear Information System (INIS)

Metcalfe, K.

1988-01-01

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

40 CFR Table 3 to Subpart IIIii of... - Work Practice Standards-Required Actions for Liquid Mercury Spills and Accumulations and Hydrogen...

Science.gov (United States)

2010-07-01

... Actions for Liquid Mercury Spills and Accumulations and Hydrogen and Mercury Vapor Leaks 3 Table 3 to... Standards—Required Actions for Liquid Mercury Spills and Accumulations and Hydrogen and Mercury Vapor Leaks... cell back into service until the leaking equipment is repaired. 3. A decomposer or hydrogen system...

Catalyst-Free Vapor-Phase Method for Direct Integration of Gas Sensing Nanostructures with Polymeric Transducing Platforms

Directory of Open Access Journals (Sweden)

Stella Vallejos

2014-01-01

Full Text Available Tungsten oxide nanoneedles (NNs are grown and integrated directly with polymeric transducing platforms for gas sensors via aerosol-assisted chemical vapor deposition (AACVD method. Material analysis shows the feasibility to grow highly crystalline nanomaterials in the form of NNs with aspect ratios between 80 and 200 and with high concentration of oxygen vacancies at the surface, whereas gas testing demonstrates moderate sensing responses to hydrogen at concentrations between 10 ppm and 50 ppm, which are comparable with results for tungsten oxide NNs grown on silicon transducing platforms. This method is demonstrated to be an attractive route to fabricate next generation of gas sensors devices, provided with flexibility and functionality, with great potential in a cost effective production for large-scale applications.

Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase

International Nuclear Information System (INIS)

Temprado, Manuel; Notario, Rafael; Roux, María Victoria; Verevkin, Sergey P.

2014-01-01

Highlights: • The enthalpies of vaporization of 2- and 3-methoxythiophenes have been measured by the transpiration method. • We have estimated the enthalpies of formation of methoxythiophenes in liquid phase. • The optimized geometries of methoxythiophenes have been tabulated and compared with the experimental crystal structures. - Abstract: Enthalpies of vaporization of 2- and 3-methoxythiophenes (48.32 ± 0.30 and 48.54 ± 0.22 kJ · mol −1 , respectively) have been measured by the transpiration method using nitrogen as the carrying and protecting stream. Combustion experiments leading to enthalpies of formation in the liquid phase, Δ f H 0 m (l), for both isomers failed due to rapid darkening of freshly distilled samples even under a protecting atmosphere. However, combination of experimental vaporization enthalpies with values of the gaseous enthalpies of formation, Δ f H 0 m (g), obtained by quantum-chemical calculations from our previous work Notario et al. (2012) [24] permits establishing estimated Δ f H 0 m (l) values of −(68.3 ± 4.2) and −(80.1 ± 4.2) kJ · mol −1 , for 2- and 3-methoxythiophene, respectively

Phase equilibria at low temperature for light hydrocarbons-methanol-water-acid gases mixtures: measurements and modelling; Equilibres de phases a basse temperature de systemes complexes CO{sub 2} - hydrocarbures legers - methanol - eau: mesures et modelisation

Energy Technology Data Exchange (ETDEWEB)

Ruffine, L.

2005-10-15

The need to develop and improve natural gas treatment processes is real. The petroleum industry usually uses separation processes which require phase equilibrium phenomena. Yet, the complexity of the phase equilibria involved results in a lack of data, which in turn limits the development of thermodynamic models. The first part of this work is devoted to experimental investigations for systems containing light hydrocarbons, methanol, water and acid gases. We present a new apparatus that was developed to measure vapor-liquid and vapor-liquid-liquid equilibria. It allowed us to obtain new phase composition data for the methanol-ethane binary system and different mixtures, and also to determine a part of the three phases equilibrium envelope of the same systems. In the second part of this work, we have developed a thermodynamic model based on the CPA equation of state. This choice may be justified by the presence of associating components like methanol, hydrogen sulfide and water in the systems. Such model is necessary for the design of gas treatment plants. Our model provides good results for phase equilibrium calculations for binaries systems without binary interaction parameter in many cases, and describes correctly the vapour-liquid and vapor-liquid-liquid equilibria for complex mixtures. (author)

Novel catalysts for isotopic exchange between hydrogen and liquid water

International Nuclear Information System (INIS)

Butler, J.P.; Rolston, J.H.; Stevens, W.H.

1978-01-01

Catalytic isotopic exchange between hydrogen and liquid water offers many inherent potential advantages for the separation of hydrogen isotopes which is of great importance in the Canadian nuclear program. Active catalysts for isotopic exchange between hydrogen and water vapor have long been available, but these catalysts are essentially inactive in the presence of liquid water. New, water-repellent platinum catalysts have been prepared by: (1) treating supported catalysts with silicone, (2) depositing platinum on inherently hydrophobic polymeric supports, and (3) treating platinized carbon with Teflon and bonding to a carrier. The activity of these catalysts for isotopic exchange between countercurrent streams of liquid water and hydrogen saturated with water vapor has been measured in a packed trickle bed integral reactor. The performance of these hydrophobic catalysts is compared with nonwetproofed catalysts. The mechanism of the overall exchange reaction is briefly discussed. 6 figures

Fluorometric method for the determination of gas-phase hydrogen peroxide

Science.gov (United States)

Kok, Gregory L.; Lazrus, Allan L.

1986-01-01

The fluorometric gas-phase hydrogen peroxide procedure is based on the technique used by Lazrus et. al. for the determination of H2O2 in the liquid phase. The analytical method utilizes the reaction of H2O2 with horseradish peroxidase and p-hydroxphenylacetic acid (POPHA) to form the fluorescent dimer of POPHA. The analytical reaction responds stoichiometrically to both H2O2 and some organic hydroperoxides. To discriminate H2O2 from organic hydroperoxides, catalase is used to preferentially destroy H2O2. Using a dual-channel flow system the H2O2 concentration is determined by difference.

Numerical modeling of a vaporizing multicomponent droplet

Science.gov (United States)

Megaridis, C. M.; Sirignano, W. A.

The fundamental processes governing the energy, mass, and momentum exchange between the liquid and gas phases of vaporizing, multicomponent liquid droplets have been investigated. The axisymmetric configuration under consideration consists of an isolated multicomponent droplet vaporizing in a convective environment. The model considers different volatilities of the liquid components, variable liquid properties due to variation of the species concentrations, and non-Fickian multicomponent gaseous diffusion. The bicomponent droplet model was employed to examine the commonly used assumptions of unity Lewis number in the liquid phase and Fickian gaseous diffusion. It is found that the droplet drag coefficients, the vaporization rates, and the related transfer numbers are not influenced by the above assumptions in a significant way.

Vaporization of fault water during seismic slip

Science.gov (United States)

Chen, Jianye; Niemeijer, André R.; Fokker, Peter A.

2017-06-01

Laboratory and numerical studies, as well as field observations, indicate that phase transitions of pore water might be an important process in large earthquakes. We present a model of the thermo-hydro-chemo-mechanical processes, including a two-phase mixture model to incorporate the phase transitions of pore water, occurring during fast slip (i.e., a natural earthquake) in order to investigate the effects of vaporization on the coseismic slip. Using parameters from typical natural faults, our modeling shows that vaporization can indeed occur at the shallow depths of an earthquake, irrespective of the wide variability of the parameters involved (sliding velocity, friction coefficient, gouge permeability and porosity, and shear-induced dilatancy). Due to the fast kinetics, water vaporization can cause a rapid slip weakening even when the hydrological conditions of the fault zone are not favorable for thermal pressurization, e.g., when permeability is high. At the same time, the latent heat associated with the phase transition causes the temperature rise in the slip zone to be buffered. Our parametric analyses reveal that the amount of frictional work is the principal factor controlling the onset and activity of vaporization and that it can easily be achieved in earthquakes. Our study shows that coseismic pore fluid vaporization might have played important roles at shallow depths of large earthquakes by enhancing slip weakening and buffering the temperature rise. The combined effects may provide an alternative explanation for the fact that low-temperature anomalies were measured in the slip zones at shallow depths of large earthquakes.

Growth of nanoparticles in hydrogen-implanted palladium subsurfaces

International Nuclear Information System (INIS)

Okuyama, F.

2010-01-01

Solid particles with nanometric dimensions are shown to grow in the opened subsurface of a polycrystalline palladium (Pd) hydrogen-implanted at around 500 C. The particles are Pd in main composition and densely grown on sloping walls of fissured grain boundaries or cracks. The average grain size increases from deeper to shallow regions, suggesting that a negative temperature gradient toward the surface existed along the crack walls. The nanoparticles are certain to arise from the condensation of Pd vapors on the walls, forcing us to assume that hydrogen atoms implanted in an overpopulation heated their implantation zone so strongly as to vaporize Pd. (orig.)

Growth of nanoparticles in hydrogen-implanted palladium subsurfaces

Energy Technology Data Exchange (ETDEWEB)

Okuyama, F. [Nagoya Institute of Technology, Graduate School of Engineering, Nagoya (Japan)

2010-07-15

Solid particles with nanometric dimensions are shown to grow in the opened subsurface of a polycrystalline palladium (Pd) hydrogen-implanted at around 500 C. The particles are Pd in main composition and densely grown on sloping walls of fissured grain boundaries or cracks. The average grain size increases from deeper to shallow regions, suggesting that a negative temperature gradient toward the surface existed along the crack walls. The nanoparticles are certain to arise from the condensation of Pd vapors on the walls, forcing us to assume that hydrogen atoms implanted in an overpopulation heated their implantation zone so strongly as to vaporize Pd. (orig.)

Hydrogen permeation behavior through F82H at high temperature

Energy Technology Data Exchange (ETDEWEB)

Matsuda, S.; Katayama, K.; Shimozori, M.; Fukada, S. [Interdisciplinary Graduate School of Engineering Science, Kyushu University, Kyushu (Japan); Ushida, H. [Energy Science and Engineering, Faculty of Engineering, Kyushu University, Kyushu (Japan); Nishikawa, M. [Malaysia-Japan International Institute of Technology, UTM, Kuala Lumpur (Malaysia)

2015-03-15

F82H is a primary candidate of structural material and coolant pipe material in a blanket of a fusion reactor. Understanding tritium permeation behavior through F82H is important. In a normal operation of a fusion reactor, the temperature of F82H will be controlled below 550 C. degrees because it is considered that F82H can be used up to 30,000 hours at 550 C. degrees. However, it is necessary to assume the situation where F82H is heated over 550 C. degrees in a severe accident. In this study, hydrogen permeation behavior through F82H was investigated in the temperature range from 500 to 800 C. degrees. In some cases, water vapor was added in a sample gas to investigate an effect of water vapor on hydrogen permeation. The permeability of hydrogen in the temperature range from 500 to 700 C. degrees agreed well with the permeability reported by E. Serra et al. The degradation of the permeability by water vapor was not observed. After the hydrogen permeation reached in a steady state at 700 C. degrees, the F82H sample was heated to 800 C. degrees. The permeability of hydrogen through F82H sample which was once heated up to 800 C. degrees was lower than that of the original one. (authors)

Gaseous exchange reaction of deuterium between hydrogen and water on hydrophobic catalyst supporting platinum

International Nuclear Information System (INIS)

Izawa, Hirozumi; Isomura, Shohei; Nakane, Ryohei.

1979-01-01

The deuterium exchange reaction between hydrogen and water in the gas phase where the fed hydrogen gas is saturated with water vapor is studied experimentally by use of the proper hydrophobic catalysts supporting platinum. It is found that the activities of those catalysts for this reaction system are very high compared with the other known ones for the systems in which gas and liquid should coexist on catalyst surfaces, and that the apparent catalytic activity becomes larger as the amount of platinum supported on a catalyst particle increases. By analyses of the data the following informations are obtained. The exchange reaction can be expressed by a first order reversible reaction kinetics. The pore diffusion in the catalyst particles has significant effect on the overall reaction mechanisms. (author)

Electrolyte management considerations in modern nickel/hydrogen and nickel/cadmium cells and battery designs

Energy Technology Data Exchange (ETDEWEB)

Thaller, L.H. [The Aerospace Corporation, El Segundo, CA (United States); Zimmermann, A.H. [The Aerospace Corporation, El Segundo, CA (United States)

1996-11-01

While attention has been paid to understanding and modeling abnormal nickel/hydrogen cell behaviors, not enough attention has been paid to the potassium ion content in these cells, and more recently, in batteries. This paper will review three general areas where the potassium ion content can impact the performance and life of nickel/hydrogen and nickel/cadmium cells. Sample calculations of the concentration or volume changes that can take place within operating cells will be presented. With the aid of an accurate model of an operating cell or battery, the impact of changes of potassium ion content within a potential cell design can be estimated. All three of these areas are directly related to the volume tolerance and pore size engineering aspects of the components used in the cell or battery design. the three areas follow. (i) The gamma phase uptake of potassium ion can result in a lowering of the electrolyte concentration. This leads to a higher electrolyte resistance as well as electrolyte diffusional limitations on the discharge rate. This phenomenon also impacts the response of the cell to a reconditioning cycle. (ii) The transport of water vapor from a warmer to a cooler portion of the cell or battery under the driving force of a vapor pressure gradient has already impacted cells when water vapor condenses on a colder cell wall. This paper will explore the convective and diffusive movement of gases saturated with water vapor from a warmer plate pack to a cooler one, both with and without liquid communication. (iii) The impact of low level shunt currents in multicell configurations results in the net movement of potassium hydroxide from one part of the battery to another. This movement impacts the electrolyte volume/vapor pressure relationship within the cell or battery. (orig.)

Biomass-to-hydrogen via fast pyrolysis and catalytic steam reforming

Energy Technology Data Exchange (ETDEWEB)

Chornet, E.; Wang, D.; Czernik, S. [National Renewable Energy Lab., Golden, CO (United States)] [and others

1996-10-01

Pyrolysis of lignocellulosic biomass and reforming the pyroligneous oils is being studied as a strategy for producing hydrogen. Novel technologies for the rapid pyrolysis of biomass have been developed in the past decade. They provide compact and efficient systems to transform biomass into vapors that are condensed to oils, with yields as high as 75-80 wt.% of the anhydrous biomass. This {open_quotes}bio-oil{close_quotes} is a mixture of aldehydes, alcohols, acids, oligomers from the constitutive carbohydrates and lignin, and some water derived from the dehydration reactions. Hydrogen can be produced by reforming the bio-oil or its fractions with steam. A process of this nature has the potential to be cost competitive with conventional means of producing hydrogen. The reforming facility can be designed to handle alternate feedstocks, such as natural gas and naphtha, if necessary. Thermodynamic modeling of the major constituents of the bio-oil has shown that reforming is possible within a wide range of temperatures and steam-to-carbon ratios. Existing catalytic data on the reforming of oxygenates have been studied to guide catalyst selection. Tests performed on a microreactor interfaced with a molecular beam mass spectrometer showed that, by proper selection of the process variables: temperature, steam-to-carbon ratio, gas hourly space velocity, and contact time, almost total conversion of carbon in the feed to CO and CO{sub 2} could be obtained. These tests also provided possible reaction mechanisms where thermal cracking competes with catalytic processes. Bench-scale, fixed bed reactor tests demonstrated high hydrogen yields from model compounds and carbohydrate-derived pyrolysis oil fractions. Reforming bio-oil or its fractions required proper dispersion of the liquid to avoid vapor-phase carbonization of the feed in the inlet to the reactor. A special spraying nozzle injector was designed and successfully tested with an aqueous fraction of bio-oil.

Gas-phase Hydrogenation of Crotonaldehyde Over Nickel-on-Kieselguhr Catalyst Pellets

International Nuclear Information System (INIS)

Uraz, C.; Atalay, F.; Atalay, S.

2001-01-01

Gas phase catalytic hydrogenation of crotonaldehyde to η-butanol was investigated. A nickel based commercial catalyst produced by Harshaw was used at constant temperatures ranging from 160 to 210deg; at pressures of 1.5, 2 , and 2.5 atm and at different crotonaldehyde to hydrogen feed ratios changing from 0.134 to 0.226. The conversion of crotonaldehyde at different operating conditions were determined and the reaction rates were calculated . The experimental results were fitted to ten langmuir-Hinshelwood/ Eley Rideal type models in addition to a homogeneous kinetics modal and the best modal was identified. The effects of external and internal mass transfer resistances were found to be negligible .(authors) refs 28., 2 figs , 4 tabs

Quantitative liquid and vapor distribution measurements in evaporating fuel sprays using laser-induced exciplex fluorescence

International Nuclear Information System (INIS)

Fansler, Todd D; Drake, Michael C; Gajdeczko, Boguslaw; Düwel, Isabell; Koban, Wieland; Zimmermann, Frank P; Schulz, Christof

2009-01-01

Fully quantitative two-dimensional measurements of liquid- and vapor-phase fuel distributions (mass per unit volume) from high-pressure direct-injection gasoline injectors are reported for conditions of both slow and rapid vaporization in a heated, high-pressure spray chamber. The measurements employ the coevaporative gasoline-like fluorobenzene (FB)/diethylmethylamine (DEMA)/hexane exciplex tracer/fuel system. In contrast to most previous laser-induced exciplex-fluorescence (LIEF) experiments, the quantitative results here include regions in which liquid and vapor fuel coexist (e.g. near the injector exit). A unique aspect is evaluation of both vapor- and liquid-phase distributions at varying temperature and pressure using only in situ vapor-phase fluorescence calibration measurements at room temperature and atmospheric pressure. This approach draws on recent extensive measurements of the temperature-dependent spectroscopic properties of the FB–DEMA exciplex system, in particular on knowledge of the quantum efficiencies of the vapor-phase and liquid-phase (exciplex) fluorescence. In addition to procedures necessary for quantitative measurements, we discuss corrections for liquid–vapor crosstalk (liquid fluorescence that overlaps the vapor-fluorescence bandpass), the unknown local temperature due to vaporization-induced cooling, and laser-sheet attenuation by scattering and absorption

Vapor Pressure Measurements of LiBH4, NaBH 4 and Ca(BH4)2 using Knudsen Torsion Effusion Gravimetric Method

Science.gov (United States)

Danyan, Mohammad Masoumi

Hydrogen storage is one of the critical technologies needed on the path towards commercialization for mobile applications. In the past few years, a range of new light weight hydrogen containing material has been discovered with good storage properties. Among them, lithium borohydride (LiBH 4) sodium borohydride (NaBH4) and calcium borohydride (Ca(BH 4)2) have shown promising results to be used as solid state hydrogen storage material. In this work, we have determined equilibrium vapor pressures of LiBH 4 NaBH4 and Ca(BH4)2 obtained by Torsion effusion thermogravimetric method. Results for all the three hydrides exhibited that a small fraction of the materials showed congruency, and sublimed as gaseous compound, but the majority of the material showed incongruent vaporization. Two Knudsen cells of 0.3 and 0.6mm orifice size was employed to measure the total vapor pressures. A Whitman-Motzfeldt method is used to extrapolate the measured vapor pressures to zero orifice size to calculate the equilibrium vapor pressures. In the case of LiBH4 we found that 2% of the material evaporated congruently (LiBH4(s) → LiBH4(g)) according to the equation: logPLiBH4/P 0 =-3263.5 +/-309/T + (1.079 +/-0.69) and rest as incongruent vaporization to LiH, B, and hydrogen gas according to the equation logPeq/P0 =(-3263.5 +/-309)/T+ (2.458 +/-0.69) with DeltaH evap.= 62.47+/-5.9 kJ/mol of H2, DeltaSevap. = 47.05+/-13 J/mol of H2.K. The NaBH4 also had somewhat similar behavior, with 9% congruent evaporation and equilibrium vapor pressure equation of logPLiBH4=-7700+/-335/ T+ (6.7+/-1.5) and 91% incongruent decomposition to Na and Boron metal, and hydrogen gas. The enthalpy of vaporization; DeltaHevap. = 147.2+/-6.4kJ/molH2 and DeltaSevap.= 142 +/-28 kJ/molH2.K (550-650K). The Ca(BH4) 2 exhibited similar vaporization behavior with congruency of 3.2%. The decomposition products are CaH2 and Boron metal with evolution of hydrogen gas varying with the pressure equation as logPeq /P0 =(-1562

Multicomponent droplet vaporization in a convecting environment

International Nuclear Information System (INIS)

Megaridis, C.M.; Sirignano, W.A.

1990-01-01

In this paper a parametric study of the fundamental exchange processes for energy, mass and momentum between the liquid and gas phases of multicomponent liquid vaporizing droplets is presented. The model, which examines an isolated, vaporizing, multicomponent droplet in an axisymmetric, convecting environment, considers the different volatilities of the liquid components, the alteration of the liquid-phase properties due to the spatial/temporal variations of the species concentrations and also the effects of multicomponent diffusion. In addition, the model accounts for variable thermophysical properties, surface blowing and droplet surface regression due to vaporization, transient droplet heating with internal liquid circulation, and finally droplet deceleration with respect to the free flow due to drag. The numerical calculation employs finite-difference techniques and an iterative solution procedure that provides time-varying spatially-resolved data for both phases. The effects of initial droplet composition, ambient temperature, initial Reynolds number (based on droplet diameter), and volatility differential between the two liquid components are investigated for a liquid droplet consisting of two components with very different volatilities. It is found that mixtures with higher concentration of the less volatile substance actually vaporize faster on account of intrinsically higher liquid heating rates

Intermediate phases in the hydrogen disproportionated state of NdFeB-type powders

International Nuclear Information System (INIS)

Yi, G.; Chapman, J. N.; Brown, D. N.; Harris, I. R.

2001-01-01

Transmission electron microscopy studies have been carried out on partially disproportionated NdFeB-type alloys. A new intermediate magnetic (NIM) phase has been identified. Moreover, the lamella structure which subsequently develops from the tetragonal NIM phase comprises a tetragonal NdFe-containing (IL) phase and α-Fe. The experimental data show strong evidence of a well-defined crystallographic relation between both the NIM and lamella phases and between the IL phase and α-Fe. These observations give insight into how crystallographic texture, and hence anisotropy, can be developed in NdFeB-type powders processed by the hydrogenation, disproportionation, desorption, and recombination route. copyright 2001 American Institute of Physics

Study of near-critical states of liquid-vapor phase transition of magnesium

International Nuclear Information System (INIS)

Emelyanov, A N; Shakhray, D V; Golyshev, A A

2015-01-01

Study of thermodynamic parameters of magnesium in the near-critical point region of the liquid-vapor phase transition and in the region of metal-nonmetal transition was carried out. Measurements of the electrical resistance of magnesium after shock compression and expansion into gas (helium) environment in the process of isobaric heating was carried out. Heating of the magnesium surface by heat transfer with hot helium was performed. The registered electrical resistance of expanded magnesium was about 10 4 -10 5 times lower than the electrical resistance of the magnesium under normal condition at the density less than the density of the critical point. Thus, metal-nonmetal transition was found in magnesium. (paper)

Student Understanding of Liquid-Vapor Phase Equilibrium

Science.gov (United States)

Boudreaux, Andrew; Campbell, Craig

2012-01-01

Student understanding of the equilibrium coexistence of a liquid and its vapor was the subject of an extended investigation. Written assessment questions were administered to undergraduates enrolled in introductory physics and chemistry courses. Responses have been analyzed to document conceptual and reasoning difficulties in sufficient detail to…

The reaction kinetics of lithium salt with water vapor

International Nuclear Information System (INIS)

Balooch, M.; Dinh, L.N.; Calef, D.F.

2002-01-01

The interaction of lithium salt (LiH and/or LiD) with water vapor in the partial pressure range of 10 -5 -2657 Pa has been investigated. The reaction probability of water with LiH cleaved in an ultra high vacuum environment was obtained using the modulated molecular beam technique. This probability was 0.11 and independent of LiH surface temperature, suggesting a negligible activation energy for the reaction in agreement with quantum chemical calculations. The value gradually reduced, however, to 0.007 as the surface concentration of oxygen containing product approached full coverage. As the film grew beyond a monolayer, the phase lag of hydrogen product increased from 0 deg. C to 20 deg. C and the reaction probability reduced further until it approached our detection limit (∼10 -4 ). This phase lag was attributed to a diffusion-limited process in this regime. For micrometer thick hydroxide films grown in high moisture concentration environment on LiD and LiH, the reaction probability reduced to ∼4x10 -7 and was independent of exposure time. In this regime of thick hydroxide films (LiOH and/or LiOD), microcracks generated in the films to release stress provided easier pathways for moisture to reach the interface. A modified microscope, capable of both atomic force microscopy and nanoindentation, was also employed to investigate the surface morphology of hydroxide monohydrate (LiOH · H 2 O and/or LiOD · H 2 O) grown on hydroxide at high water vapor partial pressures and the kinetics of this growth

Hydrogen dynamics in the low temperature phase of LiBH{sub 4} probed by quasielastic neutron scattering

Energy Technology Data Exchange (ETDEWEB)

Remhof, Arndt, E-mail: arndt.remhof@empa.ch [Empa, Swiss Federal Institute for Materials Science and Technology, Hydrogen and Energy, CH-8600 Dübendorf (Switzerland); Züttel, Andreas [Empa, Swiss Federal Institute for Materials Science and Technology, Hydrogen and Energy, CH-8600 Dübendorf (Switzerland); Ramirez-Cuesta, Timmy; García-Sakai, Victoria [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX (United Kingdom); Frick, Bernhard [Institut Laue-Langevin, F-38002 Grenoble (France)

2013-12-12

Highlights: • Inelastic fixed window sans offer new possibilities in neutron backscattering spectrometers. • Two different kind of reorientational motion were identified in the low temperature phase of LiBH{sub 4}. • Thermally activated jump rotation. - Abstract: LiBH{sub 4} contains 18.5 wt% hydrogen and undergoes a structural phase transition (orthorhombic → hexagonal) at 381 K which is associated with a large increase in hydrogen and lithium solid-state mobility. We investigated the hydrogen dynamics in the low temperature phase of LiBH{sub 4} by quasielastic neutron scattering, including a new kind of inelastic fixed window scan (IFWS). In the temperature range from 175 to 380 K the H-dynamics is dominated by thermally activated rotational jumps of the [BH{sub 4}]{sup −} anion around the c3 axis with an activation energy of about 162 meV. In agreement with earlier NMR data, a second type of thermally activated motion with an activation energy of about 232 meV could be identified using the IFWS. The present study of hydrogen dynamics in LiBH{sub 4} illustrates the feasibility of using IFWS on neutron backscattering spectrometers as a probe of localised motion.

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

International Nuclear Information System (INIS)

Kauder, G.W.

1973-01-01

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

Hydrogen production from solar energy

Science.gov (United States)

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

1975-01-01

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

Vapor-Liquid Phase Equilibria for Carbon Dioxide-I- Isopentanol Binary System at Elevated Pressure%Vapor-Liquid Phase Equilibria for Carbon Dioxide-I- Isopentanol Binary System at Elevated Pressure

Institute of Scientific and Technical Information of China (English)

王琳; 曹丰璞; 刘珊珊; 杨浩

2011-01-01

High-pressure vapor-liquid phase equilibrium data for carbon dioxide＋ isopentanol were measured at tempera- tures of 313.2, 323.1, 333.5 and 343.4 K in the pressure range of 4.64 to 12.71 MPa in a variable-volume high-pressure visual cell. The experimental data were well correlated with Peng-Robinson equation of state （PR-EOS） together with van der Waals-2 two-parameter mixing rule, and the binary interaction parameters were obtained. Henry coefficients and partial molar volumes of CO2 at infinite dilution were estimated based on Krichevsky-Kasarnovsky equation, and Henry coefficients increase with increasing temperature, however, partial molar volumes of CO2 at infinite dilution are negative and the magnitudes decrease with temperature.

Kinetics of chemical vapor deposition of boron on molybdenum

International Nuclear Information System (INIS)

Tanaka, W.; Nakaanishi, N.; Kato, E.

1987-01-01

Experimental rate data of chemical vapor deposition of boron by reduction of boron trichloride with hydrogen are analyzed to determine the reaction mechanism. The reaction orders with respect to the partial pressures of hydrogen and boron trichloride are one half and one third, respectively. It has been found that the outer layer of a deposited film is Mo/sub 2/B/sub 5/ and the inner layer is MoB by the use of X-ray diffraction and EPMA line analysis

Extraction of negative lithium ions from a lithium-containing hydrogen plasma

International Nuclear Information System (INIS)

Wada, M.; Sasao, M.

1996-01-01

Negative lithium ions (Li - ) were extracted from a 6-cm-diam 7-cm-long negative hydrogen ion (H - ) source to simulate the condition of Li - extraction from a Li vapor introduced ion source for the neutral beam heating. The amount of the Li - current extracted from a hydrogen plasma with Li vapor was comparable to that extracted from a pure Li plasma. However, the amount of the H - current decreased as the H 2 gas pressure in the source decreased due to a getter-pump effect of Li during the introduction of Li vapor. A heat shield installed to keep a high wall temperature was effective in mitigating the pressure decrease. However, the H - current extracted from the ion source equipped with the heat shield became 20% of the original value, as Li vapor was injected into the ion source. copyright 1996 American Institute of Physics

Condensation in gas transmission pipelines. Phase behavior of mixtures of hydrogen with natural gas

Energy Technology Data Exchange (ETDEWEB)

Schouten, J.A.; Michels, J.P.J. [Amsterdam Univ. (Netherlands). Van der Waals-Zeeman Inst.; Rosmalen, R.J. van [Energy, Roden (Netherlands)

2005-05-01

Several pressure and temperature reductions occur along gas transmission lines. Since the pressure and temperature conditions of the natural gas in the pipeline are often close to the dew point curve, liquid dropout can occur. Injection of hydrogen into the natural gas will change the phase envelope and thus the liquid dropout. This condensation of the heavy hydrocarbons requires continuous operational attention and a positive effect of hydrogen may affect the decision to introduce hydrogen. In this paper we report on calculations of the amount of condensate in a natural gas and in this natural gas mixed with 16.7% hydrogen. These calculations have been performed at conditions prevailing in gas transport lines. The results will be used to discuss the difference in liquid dropout in a natural gas and in a mixture with hydrogen at pressure reduction stations, at crossings under waterways, at side-branching, and at separators in the pipelines. (author)

Process for hydrogen isotope exchange and concentration between liquid water and hydrogen gas and catalyst assembly therefor

International Nuclear Information System (INIS)

Stevens, W.H.

1975-01-01

A bithermal, catalytic, hydrogen isotope exchange process between liquid water and hydrogen gas to effect concentration of the deuterium isotope of hydrogen is described. Liquid water and hydrogen gas are contacted with one another and with at least one catalytically active metal selected from Group VIII of the Periodic Table; the catalyst body has a water repellent, gas and water vapor permeable, organic polymer or resin coating, preferably a fluorinated olefin polymer or silicone resin coating, so that the isotope exchange takes place by two simultaneously occurring, and closely coupled in space, steps and concentration is effected by operating two interconnected sections containing catalyst at different temperatures. (U.S.)

Process for the exchange of hydrogen isotopes using a catalyst packed bed assembly

International Nuclear Information System (INIS)

Butler, J.P.; den Hartog, J.; Molson, F.W.R.

1978-01-01

A process for the exchange of hydrogen isotopes between streams of gaseous hydrogen and liquid water is described, wherein the streams of liquid water and gaseous hydrogen are simultaneously brought into contact with one another and a catalyst packed bed assembly while at a temperature in the range 273 0 to 573 0 K. The catalyst packed bed assembly may be composed of discrete carrier bodies of e.g. ceramics, metals, fibrous materials or synthetic plastics with catalytically active metal crystallites selected from Group VIII of the Periodic Table, partially enclosed in and bonded to the carrier bodies by a water repellent, water vapor and hydrogen gas permeable, porous, polymeric material, and discrete packing bodies having an exterior surface which is substantially hydrophilic and relatively noncatalytically active with regard to hydrogen isotope exchange between hydrogen gas and water vapor to that of the catalyst bodies

Bose–Einstein condensation in a vapor of sodium atoms in an electric field

International Nuclear Information System (INIS)

You, Pei-Lin

2016-01-01

Bose–Einstein condensation (BEC) at normal temperature (T=343K) has been observed because an electric field was first applied. There are two ways to achieve phase transition: lower the temperature of Bose gas or increase its density. This article provides more appropriate method: increase the voltage. In theory, 3s and 3p states of sodium are not degenerate, but Na may be polar atom doesnot conflict with quantum mechanics because it is hydrogen-like atom. Our innovation lies in we applied an electric field used for the orientation polarization. Na vapor was filled in a cylindrical capacitor. In order to determine the polarity of sodium, we measured the capacitance at different temperatures. If Na is non-polar atom, its capacitance should be independent of temperature because the nucleus of atom is located at the center of the electron cloud. But our experiment shows that its capacitance is related to temperature, so Na is polar atom. In order to achieve Na vapor phase transition, we measured the capacitance at different voltages. From the entropy of Na vapor S=0, the critical voltage V_c=68volts. When V 0; when V>V_c, the atoms become aligned with the field S<0, phase transition occurred. When V=390 volts »V_c, the capacitance decreased from C=1.9C_0 to C≈C_0 (C_0 is the vacuum capacitance), this result implies that almost all the Na atoms (more than 98%) are aligned with the field, Na vapor entered quasi-vacuum state. We create a BEC with 2.506×10"1"7 atoms, condensate fraction reached 98.9%. This is BEC in momentum space. Our experiment shows that if a Bose gas enters quasi-vacuum state, this also means that it underwent phase transition and generates BEC. Therefore, quasi-vacuum state of alkali gas is essentially large-scale BEC. This is an unexpected discovery. BEC and vacuum theory are two unrelated research areas, but now they are closely linked together. The maximum induced dipole moment d_i_n_d≤7.8×10"−"1"5 e cm can be neglected. Ultra

Comparison of hydrogen isotope exchange reactions between HTO vapor and the sodium salts of o-, m-, and p-aminobenzoic acid

International Nuclear Information System (INIS)

Okada, Minoru; Imaizumi, Hiroshi; Itoh, Tomoko

1991-01-01

Hydrogen isotope exchange reaction between HTO vapor and one of the sodium salts of o-, m-, and p-aminobenzoic acid (solid) was observed at 50 ∼ 80 degC. The acidity (acidity based on kinetic logic) for the materials at each temperature has been obtained with the A''-McKay plots based on the respective data obtained. The followings have been clarified by comparing these acidities (and the acidities obtained previously). 1) The acidity of aromatic amines can be expressed in terms of the acidity based on kinetic logic. 2) The reactivity of aromatic amine is strongly affected by both I-effect and R-effect. 3) It can be deduced that aromatic amines are more reactive than aliphatic amines. (author)

Protein and Peptide Gas-phase Structure Investigation Using Collision Cross Section Measurements and Hydrogen Deuterium Exchange

Science.gov (United States)

Khakinejad, Mahdiar

Protein and peptide gas-phase structure analysis provides the opportunity to study these species outside of their explicit environment where the interaction network with surrounding molecules makes the analysis difficult [1]. Although gas-phase structure analysis offers a unique opportunity to study the intrinsic behavior of these biomolecules [2-4], proteins and peptides exhibit very low vapor pressures [2]. Peptide and protein ions can be rendered in the gas-phase using electrospray ionization (ESI) [5]. There is a growing body of literature that shows proteins and peptides can maintain solution structures during the process of ESI and these structures can persist for a few hundred milliseconds [6-9]. Techniques for monitoring gas-phase protein and peptide ion structures are categorized as physical probes and chemical probes. Collision cross section (CCS) measurement, being a physical probe, is a powerful method to investigate gas-phase structure size [3, 7, 10-15]; however, CCS values alone do not establish a one to one relation with structure(i.e., the CCS value is an orientationally averaged value [15-18]. Here we propose the utility of gas-phase hydrogen deuterium exchange (HDX) as a second criterion of structure elucidation. The proposed approach incudes extensive MD simulations to sample biomolecular ion conformation space with the production of numerous, random in-silico structures. Subsequently a CCS can be calculated for these structures and theoretical CCS values are compared with experimental values to produce a pool of candidate structures. Utilizing a chemical reaction model based on the gas-phase HDX mechanism, the HDX kinetics behavior of these candidate structures are predicted and compared to experimental results to nominate the best in-silico structures which match (chemically and physically) with experimental observations. For the predictive approach to succeed, an extensive technique and method development is essential. To combine CCS

Growth kinetics and mass transport mechanisms of GaN columns by selective area metal organic vapor phase epitaxy

Science.gov (United States)

Wang, Xue; Hartmann, Jana; Mandl, Martin; Sadat Mohajerani, Matin; Wehmann, Hergo-H.; Strassburg, Martin; Waag, Andreas

2014-04-01

Three-dimensional GaN columns recently have attracted a lot of attention as the potential basis for core-shell light emitting diodes for future solid state lighting. In this study, the fundamental insights into growth kinetics and mass transport mechanisms of N-polar GaN columns during selective area metal organic vapor phase epitaxy on patterned SiOx/sapphire templates are systematically investigated using various pitch of apertures, growth time, and silane flow. Species impingement fluxes on the top surface of columns Jtop and on their sidewall Jsw, as well as, the diffusion flux from the substrate Jsub contribute to the growth of the GaN columns. The vertical and lateral growth rates devoted by Jtop, Jsw and Jsub are estimated quantitatively. The diffusion length of species on the SiOx mask surface λsub as well as on the sidewall surfaces of the 3D columns λsw are determined. The influences of silane on the growth kinetics are discussed. A growth model is developed for this selective area metal organic vapor phase epitaxy processing.

Hydrogen-metal systems

International Nuclear Information System (INIS)

Wenzl, H.; Springer, T.

1976-01-01

A survey is given on the alloys of metal crystals with hydrogen. The system niobium-hydrogen and its properties are especially dealt with: diffusion and heat of solution of hydrogen in the host crystal, phase diagram, coherent and incoherent phase separation, application of metal-hydrogen systems in technology. Furthermore, examples from research work in IFF (Institut fuer Festkoerperforschung) of the Nuclear Research Plant, Juelich, in the field of metal-H systems are given in summary form. (GSC) [de

The effect of a micro bubble dispersed gas phase on hydrogen isotope transport in liquid metals under nuclear irradiation

Energy Technology Data Exchange (ETDEWEB)

Fradera, J., E-mail: jfradera@ubu.es; Cuesta-López, S., E-mail: scuesta@ubu.es

2013-12-15

The present work intend to be a first step towards the understanding and quantification of the hydrogen isotope complex phenomena in liquid metals for nuclear technology. Liquid metals under nuclear irradiation in, e.g., breeding blankets of a nuclear fusion reactor would generate tritium which is to be extracted and recirculated as fuel. At the same time that tritium is bred, helium is also generated and may precipitate in the form of nano bubbles. Other liquid metal systems of a nuclear reactor involve hydrogen isotope absorption processes, e.g., tritium extraction system. Hence, hydrogen isotope absorption into gas bubbles modelling and control may have a capital importance regarding design, operation and safety. Here general models for hydrogen isotopes transport in liquid metal and absorption into gas phase, that do not depend on the mass transfer limiting regime, are exposed and implemented in OpenFOAM® CFD tool for 0D–3D simulations. Results for a 0D case show the impact of a He dispersed phase of nano bubbles on hydrogen isotopes inventory at different temperatures as well as the inventory evolution during a He nucleation event. In addition, 1D and 2D axisymmetric cases are exposed showing the effect of a He dispersed gas phase on hydrogen isotope permeation through a lithium lead eutectic alloy and the effect of vortical structures on hydrogen isotope transport at a backward facing step. Exposed results give a valuable insight on current nuclear technology regarding the importance of controlling hydrogen isotope transport and its interactions with nucleation event through gas absorption processes.

Vapor-phase polymerization of poly(3, 4-ethylenedioxythiophene) nanofibers on carbon cloth as electrodes for flexible supercapacitors

Science.gov (United States)

Zhao, Xin; Dong, Mengyang; Zhang, Junxian; Li, Yingzhi; Zhang, Qinghua

2016-09-01

In this study, an evaporative vapor-phase polymerization approach was employed to fabricate vertically aligned poly(3, 4-ethylenedioxythiophene) (PEDOT) nanofibers on the surface of carbon cloth (CC). Optimized reaction conditions can obtain well distributed and uniform layers of high-aspect-ratio PEDOT nanofibers on CC. The hierarchical PEDOT/CC structure as a freestanding electrode exhibits good electrochemical properties. As a flexible symmetric supercapacitor, the PEDOT/CC hybrid electrode displays a specific areal capacitance of 201.4 mF cm-2 at 1 mA cm-2, good flexibility with a higher value (204.6 mF cm-2) in the bending state, and a good cycling stability of 92.4% after 1000 cycles. Moreover, the device shows a maximum energy density of 4.0 Wh kg-1 (with a power density of 3.2 kW kg-1) and a maximum power density of 4.2 kW kg-1 (with an energy density of 3.1 Wh kg-1). The results demonstrate that PEDOT may be a promising material for storage devices through a simple and efficient vapor-phase polymerization process with precisely controlled reaction conditions.

Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids.

Science.gov (United States)

Diedenhofen, Michael; Klamt, Andreas; Marsh, Kenneth; Schäfer, Ansgar

2007-09-07

The vapor pressures and vaporization enthalpies of a series of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids have been predicted with two different approaches using the COSMO-RS method and quantum chemical gas phase calculations. While the calculated enthalpies are in good agreement with the experimental data, COSMO-RS seems to underestimate the vapor pressures by roughly 0.5-4 log units dependent on the IL and approach used.

Growth of Cd0.96Zn0.04Te single crystals by vapor phase gas transport method

Directory of Open Access Journals (Sweden)

S. H. Tabatabai Yazdi

2006-03-01

Full Text Available   Cd0.96Zn0.04Te crystals were grown using vapor phase gas transport method (VPGT. The results show that dendritic crystals with grain size up to 3.5 mm can be grown with this technique. X-ray diffraction and Laue back-reflection patterns show that dendritic crystals are single-phase, whose single crystal grains are randomly oriented with respect to the gas-transport axis. Electrical measurements, carried out using Van der Pauw method, show that the as-grown crystals have resistivity of about 104 Ω cm and n-type conductivity.

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

Science.gov (United States)

Mazzola, Guglielmo; Helled, Ravit; Sorella, Sandro

2018-01-01

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

A compressed hydrogen gas storage system with an integrated phase change material

DEFF Research Database (Denmark)

Mazzucco, Andrea; Rothuizen, Erasmus Damgaard; Jørgensen, Jens Erik

2015-01-01

below the critical temperature of 85 °C, while filling the hydrogen at ambient temperature. Results show that a 10-mm-thick layer of paraffin wax can absorb enough heat to reduce the adiabatic temperature by 20 K when compared to a standard Type IV tank. The heat transfer from the gas to the phase...... change material, mainly occurs after the fueling is completed, resulting in a higher hydrogen peak temperature inside the tank and a lower fuelled mass than a gas-cooled system. Such a mass reduction accounts for 12% with respect to the case of a standard tank system fuelled at -40 °C....

Deuterium exchange reaction between hydrogen and water in a trickle-bed column packed with novel catalysts

International Nuclear Information System (INIS)

Ahn, D. H.; Baek, S. W.; Lee, H. S.; Kim, K. R.; Kang, H. S.; Lee, S. H.; Jeong, H. S.

1998-01-01

The activity of a novel catalyst (Pt/SDBC) for deuterium exchange reaction between water and hydrogen streams in a trickle bed was measured. The performance of the catalyst was compared with a commercial catalyst with same metal content. The catalytic activity for the bed of wet-proofed catalyst diluted with hydrophillic packing material also measured. The Pt/SDBC catalyst shows higher activity in the liquid phase reaction than the commercial catalyst as measured in the vapor phase reaction. The performance for 50% dilution of the Pt/SDBC catalyst bed with hydrophillic packing material is better than that of the 100% bed due to more liquid holdup and better water distribution

Environmental and Health Benefits and Risks of a Global Hydrogen Economy

Science.gov (United States)

Dubey, M.; Horowitz, L. W.; Rahn, T. A.; Kinnison, D. E.

2003-12-01

Rapid development in hydrogen fuel-cell technologies will create a strong impetus for a massive hydrogen supply and distribution infrastructure in the coming decades. Hydrogen provides an efficient energy carrier that promises to enhance urban and regional air quality that will benefit human health. It could also reduce risks of climate change if large-scale hydrogen production by renewable or nuclear energy sources becomes viable. While it is well known that the byproduct of energy produced from hydrogen is water vapor, it is not well known that the storage and transfer of hydrogen is inevitably accompanied by measurable leakage of hydrogen. Unintended consequences of hydrogen leakage include reduction in global oxidative capacity, changes in tropospheric ozone, and increase in stratospheric water that would exacerbate halogen induced ozone losses as well as impact the earth's radiation budget and climate. Stratospheric ozone depletion would increase exposure to harmful ultraviolet radiation and increased risk to melanoma. We construct plausible global hydrogen energy use and leak scenarios and assess their impacts using global 3-D simulations by the Model for Ozone And Related Trace species (MOZART). The hydrogen fluxes and photochemistry in our model successfully reproduce the contemporary hydrogen cycle as observed by a network of remote global stations. Our intent is to determine environmentally tolerable leak rates and also facilitate a gradual phasing in of a hydrogen economy over the next several decades as the elimination of the use of halocarbons gradually reduces halogen induced stratospheric ozone loss rates. We stress that the future evolution of microbial soil sink of hydrogen that determines its current lifetime (about 2 years) is the principal source of uncertainty in our assessment. We propose global monitoring of hydrogen and its deuterium content to define a baseline and track its budget to responsibly prepare for a global hydrogen economy.

Chirality-Controlled Growth of Single-Wall Carbon Nanotubes Using Vapor Phase Epitaxy: Mechanistic Understanding and Scalable Production

Science.gov (United States)

2016-09-15

AFRL-AFOSR-VA-TR-2016-0319 Chirality -Controlled Growth of Single-Wall Carbon Nanotubes Using Vapor Phase Epitaxy: Mechanistic Understanding and...TELEPHONE NUMBER (Include area code) DISTRIBUTION A: Distribution approved for public release. 15-06-2016 final Jun 2014 - Jun 2016 Chirality ...for Public Release; Distribution is Unlimited. In this report, we present our efforts in establishing a novel and effective approach for chirality

Theoretical Investigation of the Structural Stabilities of Ceria Surfaces and Supported Metal Nanocluster in Vapor and Aqueous Phases

Energy Technology Data Exchange (ETDEWEB)

Ren, Zhibo [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Liu, Ning [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Chen, Biaohua [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Li, Jianwei [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Mei, Donghai [Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

2018-01-25

Understanding the structural stability and dynamics at the interface between the solid metal oxide and aqueous phase is significant in a variety of industrial applications including heterogeneous catalysis and environmental remediation. In the present work, the stabilities of three low-index ceria (CeO2) surfaces, i.e., (111), (110) and (100) in vapor and aqueous phases were studied using ab initio molecular dynamics simulations and density functional theory (DFT) calculations. Gibbs surface free energies as a function of temperature, water partial pressure, and water coverages were calculated using DFT based atomistic thermodynamic approach. On the basis of surface free energies, the morphology and exposed surface structures of the CeO2 nanoparticle were predicted using Wulff construction principle. It is found that the partially hydroxylated (111) and (100) are two major surface structures of CeO2 nanoparticles in vapor phase at ambient temperature (300 K). As the temperature increases, the fully dehydrated (111) surface gradually becomes the most dominant surface structure. While in aqueous phase, the exposed surface of the CeO2 nanoparticle is dominated by the hydroxylated (110) structure at 393 K. Finally, the morphology and stability of a cuboctahedron Pt13 nanocluster supported on CeO2 surfaces in both gas and aqueous phases were investigated. In gas phase, the supported Pt13 nanocluster has the tendency to wetting the CeO2 surface due to the strong metal-support interaction. The calculated interaction energies suggest the CeO2(110) surface provides the best stability for the Pt13 nanocluster. The CeO2 supported Pt13 nanoclusters are oxidized. Compared to the gas phase, the morphology of the CeO2 supported Pt13 nanocluster is less distorted due to the solvation effect provided by surrounding water molecules in aqueous phase. More electrons are transferred from the Pt13 nanocluster to the CeO2 support, implying the supported Pt13 nanocluster is further

Migration of carbon nanotubes from liquid phase to vapor phase in the refrigerant-based nanofluid pool boiling

Directory of Open Access Journals (Sweden)

Peng Hao

2011-01-01

Full Text Available Abstract The migration characteristics of carbon nanotubes from liquid phase to vapor phase in the refrigerant-based nanofluid pool boiling were investigated experimentally. Four types of carbon nanotubes with the outside diameters from 15 to 80 nm and the lengths from 1.5 to 10 μm were used in the experiments. The refrigerants include R113, R141b and n-pentane. The oil concentration is from 0 to 10 wt.%, the heat flux is from 10 to 100 kW·m-2, and the initial liquid-level height is from 1.3 to 3.4 cm. The experimental results indicate that the migration ratio of carbon nanotube increases with the increase of the outside diameter or the length of carbon nanotube. For the fixed type of carbon nanotube, the migration ratio decreases with the increase of the oil concentration or the heat flux, and increases with the increase of the initial liquid-level height. The migration ratio of carbon nanotube increases with the decrease of dynamic viscosity of refrigerant or the increase of liquid phase density of refrigerant. A model for predicting the migration ratio of carbon nanotubes in the refrigerant-based nanofluid pool boiling is proposed, and the predictions agree with 92% of the experimental data within a deviation of ±20%.

Solution and solid-phase halogen and C-H hydrogen bonding to perrhenate.

Science.gov (United States)

Massena, Casey J; Riel, Asia Marie S; Neuhaus, George F; Decato, Daniel A; Berryman, Orion B

2015-01-28

(1)H NMR spectroscopic and X-ray crystallographic investigations of a 1,3-bis(4-ethynyl-3-iodopyridinium)benzene scaffold with perrhenate reveal strong halogen bonding in solution, and bidentate association in the solid state. A nearly isostructural host molecule demonstrates significant C-H hydrogen bonding to perrhenate in the same phases.

Study of porogen removal by atomic hydrogen generated by hot wire chemical vapor deposition for the fabrication of advanced low-k thin films

Energy Technology Data Exchange (ETDEWEB)

Godavarthi, S., E-mail: srinivas@cinvestav.mx [Program of Nanoscience and Nanotechnology, Cinvestav-IPN (Mexico); Universidad Nacional Autonoma de Mexico, Instituto de Ciencias Fisicas, Av. Universidad, Cuernavaca, Morelos (Mexico); Wang, C.; Verdonck, P. [imec, Kapeldreef 75, 3001 Leuven (Belgium); Matsumoto, Y.; Koudriavtsev, I. [Program of Nanoscience and Nanotechnology, Cinvestav-IPN (Mexico); SEES, Electrical Engineering Department, Cinvestav-IPN (Mexico); Dutt, A. [SEES, Electrical Engineering Department, Cinvestav-IPN (Mexico); Tielens, H.; Baklanov, M.R. [imec, Kapeldreef 75, 3001 Leuven (Belgium)

2015-01-30

In order to obtain low-k dielectric films, a subtractive technique, which removes sacrificial porogens from a hydrogenated silicon oxycarbide (SiOC:H) film, has been used successfully by different groups in the past. In this paper, we report on the porogen removal from porogenated SiOC:H films, using a hot wire chemical vapor deposition (HWCVD) equipment. Molecular hydrogen is dissociated into atomic hydrogen by the hot wires and these atoms may successfully remove the hydrocarbon groups from the porogenated SiOC:H films. The temperature of the HWCVD filaments proved to be a determining factor. By Fourier transform infrared spectroscopy, X-ray reflectivity (XRR), secondary ion mass spectrometry (SIMS), ellipsometric porosimetry and capacitance-voltage analyses, it was possible to determine that for temperatures higher than 1700 °C, efficient porogen removal occurred. For temperatures higher than 1800 °C, the presence of OH groups was detected. The dielectric constant was the lowest, 2.28, for the samples processed at a filament temperature of 1800 °C, although porosity measurements showed higher porosity for the films deposited at the higher temperatures. XRR and SIMS analyses indicated densification and Tungsten (W) incorporation at the top few nanometers of the films.

Fiscal 1997 survey report. Subtask 8 (hydrogen utilization worldwide clean energy system technology) (WE-NET) (development of hydrogen combustion turbines/development of combustion control technology); 1997 nendo seika hokokusho. Suiso riyo kokusai clean energy system (WE-NET) subtask 8 suiso nensho turbine no kaihatsu nensho seigyo gijutsu no kaihatsi

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-03-01

Concerning the development of hydrogen combustion turbines, the paper described the fiscal 1997 results. As a hydrogen/oxygen combustor, the annular combustor was studied. Based on the results obtained by the last fiscal year, a combustor for the evaluation test was designed/fabricated. Oxygen is mixed with vapor at the portion of the burner, rotated/jetted (flame held by the circulation flow generated) and made to burn with hydrogen (porous injection). The smooth ignition and equilibrium wall temperature distribution were made possible. Concentrations of the residual hydrogen/oxygen in the stoichiometric mixture ratio combustion were both less than 1%. Further, can type combustor I is a type in which hydrogen and oxygen are burned near the burner and then are diluted by vapor. Improved of the burner structure and diluted vapor hole, it was tested. In can type combustor II, a mixture of oxygen and vapor is supplied and burned with hydrogen. The appropriate supply of oxygen was 20% distribution to the primary scoop and 80% to secondary. In both combustors, smooth ignition was possible, and concentrations of the residual hydrogen/oxygen in the stoichiometric mixture ratio combustion were controlled at minimum (approximately 1%). The evaluation method for the optimum hydrogen/oxygen combustor was studied. 142 figs., 24 tabs.

Development of Bi-phase sodium-oxygen-hydrogen chemical equilibrium calculation program (BISHOP) using Gibbs free energy minimization method

International Nuclear Information System (INIS)

Okano, Yasushi

1999-08-01

In order to analyze the reaction heat and compounds due to sodium combustion, the multiphase chemical equilibrium calculation program for chemical reaction among sodium, oxygen and hydrogen is developed in this study. The developed numerical program is named BISHOP; which denotes Bi-Phase, Sodium - Oxygen - Hydrogen, Chemical Equilibrium Calculation Program'. Gibbs free energy minimization method is used because of the special merits that easily add and change chemical species, and generally deal many thermochemical reaction systems in addition to constant temperature and pressure one. Three new methods are developed for solving multi-phase sodium reaction system in this study. One is to construct equation system by simplifying phase, and the other is to expand the Gibbs free energy minimization method into multi-phase system, and the last is to establish the effective searching method for the minimum value. Chemical compounds by the combustion of sodium in the air are calculated using BISHOP. The Calculated temperature and moisture conditions where sodium-oxide and hydroxide are formed qualitatively agree with the experiments. Deformation of sodium hydride is calculated by the program. The estimated result of the relationship between the deformation temperature and pressure closely agree with the well known experimental equation of Roy and Rodgers. It is concluded that BISHOP can be used for evaluated the combustion and deformation behaviors of sodium and its compounds. Hydrogen formation condition of the dump-tank room at the sodium leak event of FBR is quantitatively evaluated by BISHOP. It can be concluded that to keep the temperature of dump-tank room lower is effective method to suppress the formation of hydrogen. In case of choosing the lower inflammability limit of 4.1 mol% as the hydrogen concentration criterion, formation reaction of sodium hydride from sodium and hydrogen is facilitated below the room temperature of 800 K, and concentration of hydrogen

High temperature thermodynamics and vaporization of the zirconium--niobium--oxygen system

International Nuclear Information System (INIS)

Rinehart, G.H.

1978-01-01

The vaporization behavior of the Zr--Nb--O system was studied by means of successive vaporization, Knudsen effusion-target collection experiments, and mass spectrometric analysis of the vapors effusing from a Knudsen crucible. The successive vaporization experiments were performed on two ternary samples in open crucibles. X-ray powder diffraction patterns of the residues and x-ray fluorescence analysis of the condensates and residues indicated the preferential vaporization of niobium-containing species with the composition of the residue subsequently becoming closer to that of congruently vaporizing ZrO/sub 2-x/. The Knudsen effusion-target collection experiments were employed on two samples, pure NbO 2 (s) and a two-phase ZrO 2 --NbO 2 mixture, in order to obtain information on the activity of NbO 2 in the two-phase mixture. Second law enthalpies and entropies of sublimation as well as third law enthalpies were obtained for both systems. The vaporization behaviors of five compositions in the Zr--Nb--O system, NbO 2 , NbO, a ZrO 2 --NbO 2 two-phase mixture, Nb 2 O 5 , and Zr 6 Nb 2 O 17 , were investigated. Above Nb 2 O 5 and the fully oxidized Zr 6 Nb 2 O 17 oxygen is preferentially lost; over NbO 2 , the two-phase ZrO 2 --NbO 2 system, and NbO the principal gaseous species is NbO 2

Waste Tank Vapor Project: Tank vapor database development

International Nuclear Information System (INIS)

Seesing, P.R.; Birn, M.B.; Manke, K.L.

1994-09-01

The objective of the Tank Vapor Database (TVD) Development task in FY 1994 was to create a database to store, retrieve, and analyze data collected from the vapor phase of Hanford waste tanks. The data needed to be accessible over the Hanford Local Area Network to users at both Westinghouse Hanford Company (WHC) and Pacific Northwest Laboratory (PNL). The data were restricted to results published in cleared reports from the laboratories analyzing vapor samples. Emphasis was placed on ease of access and flexibility of data formatting and reporting mechanisms. Because of time and budget constraints, a Rapid Application Development strategy was adopted by the database development team. An extensive data modeling exercise was conducted to determine the scope of information contained in the database. a A SUN Sparcstation 1000 was procured as the database file server. A multi-user relational database management system, Sybase reg-sign, was chosen to provide the basic data storage and retrieval capabilities. Two packages were chosen for the user interface to the database: DataPrism reg-sign and Business Objects trademark. A prototype database was constructed to provide the Waste Tank Vapor Project's Toxicology task with summarized and detailed information presented at Vapor Conference 4 by WHC, PNL, Oak Ridge National Laboratory, and Oregon Graduate Institute. The prototype was used to develop a list of reported compounds, and the range of values for compounds reported by the analytical laboratories using different sample containers and analysis methodologies. The prototype allowed a panel of toxicology experts to identify carcinogens and compounds whose concentrations were within the reach of regulatory limits. The database and user documentation was made available for general access in September 1994

Quantum mechanics on phase space: The hydrogen atom and its Wigner functions

Science.gov (United States)

Campos, P.; Martins, M. G. R.; Fernandes, M. C. B.; Vianna, J. D. M.

2018-03-01

Symplectic quantum mechanics (SQM) considers a non-commutative algebra of functions on a phase space Γ and an associated Hilbert space HΓ, to construct a unitary representation for the Galilei group. From this unitary representation the Schrödinger equation is rewritten in phase space variables and the Wigner function can be derived without the use of the Liouville-von Neumann equation. In this article the Coulomb potential in three dimensions (3D) is resolved completely by using the phase space Schrödinger equation. The Kustaanheimo-Stiefel(KS) transformation is applied and the Coulomb and harmonic oscillator potentials are connected. In this context we determine the energy levels, the amplitude of probability in phase space and correspondent Wigner quasi-distribution functions of the 3D-hydrogen atom described by Schrödinger equation in phase space.

Lab-scale hydrogen peroxide data from ECBC

Data.gov (United States)

U.S. Environmental Protection Agency — Data from small lab scale tests conducted at ECBC. It contains efficacy data as well as data on env conditions such as temperature, RH, and hydrogen peroxide vapor...

Carbon-coated ceramic membrane reactor for the production of hydrogen by aqueous-phase reforming of sorbitol.

Science.gov (United States)

Neira D'Angelo, M F; Ordomsky, V; Schouten, J C; van der Schaaf, J; Nijhuis, T A

2014-07-01

Hydrogen was produced by aqueous-phase reforming (APR) of sorbitol in a carbon-on-alumina tubular membrane reactor (4 nm pore size, 7 cm long, 3 mm internal diameter) that allows the hydrogen gas to permeate to the shell side, whereas the liquid remains in the tube side. The hydrophobic nature of the membrane serves to avoid water loss and to minimize the interaction between the ceramic support and water, thus reducing the risks of membrane degradation upon operation. The permeation of hydrogen is dominated by the diffusivity of the hydrogen in water. Thus, higher operation temperatures result in an increase of the flux of hydrogen. The differential pressure has a negative effect on the flux of hydrogen due to the presence of liquid in the larger pores. The membrane was suitable for use in APR, and yielded 2.5 times more hydrogen than a reference reactor (with no membrane). Removal of hydrogen through the membrane assists in the reaction by preventing its consumption in undesired reactions. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molecular interpretation of Trouton's and Hildebrand's rules for the entropy of vaporization of a liquid

International Nuclear Information System (INIS)

Green, James A.; Irudayam, Sheeba Jem; Henchman, Richard H.

2011-01-01

Research highlights: → A method to calculate a liquid's entropy of vaporization is proposed. → The entropy of vaporisation depends on force magnitudes from computer simulation. → Calculated values agree with experiment, Trouton's rule and Hildebrand's rule. → Free volumes decrease for larger molecules or those with stronger interactions. - Abstract: The entropy of vaporization at a liquid's boiling point is well approximated by Trouton's rule and even more accurately by Hildebrand's rule. A cell method is used here to calculate the entropy of vaporization for a range of liquids by subtracting the entropy of the gas from that of the liquid. The liquid's entropy is calculated from the force magnitudes measured in a molecular dynamics simulation based on the harmonic approximation. The change in rotational entropy is not accounted for except in the case of liquid water. The predicted entropies of vaporization agree well with experiment and Trouton's and Hildebrand's rules for most liquids and for water except other liquids with hydrogen bonds. This supports the idea that molecular rotation is close to ideal at a liquid's boiling point if hydrogen bonds are absent; if they are present, then the rotational entropy gain must be included. The method provides a molecular interpretation of those rules by providing an equation in terms of a molecule's free volume in a liquid which depends on the force magnitudes. Free volumes at each liquid's boiling point are calculated to be ∼1 A 3 for liquids lacking hydrogen bonds, lower at ∼0.3 A 3 for those with hydrogen bonds, and they decrease weakly with increasing molecular size.

A clean measurement of the hydrogen retardation of the rate of solid phase epitaxy in silicon

International Nuclear Information System (INIS)

Liu, A.C.Y.; McCallum, J.C.

1999-01-01

The rate retarding effects of the impurity hydrogen on solid phase epitaxy (SPE) in silicon have yet to be completely understood. Existing measurements of this behaviour do not coincide exactly, however, several features have attained prominence. Firstly, a linear decrease in the SPE rate is detected up until a certain concentration of hydrogen. Subsequent to this point the rate remains almost constant at around half the intrinsic rate. It is conjectured that the hydrogen bonds to and passivates the defects whose agency enables the incorporation of atoms from the amorphous phase to the crystalline. This rate reduction increases until the defect population is saturated. At this point the reduction in rate ceases. Secondly, a dependence on temperature has not been consolidated, in contrast with the trends observed with the doping species. Here a method is proposed for producing a controlled concentration of hydrogen for the advancing amorphous/crystalline interface to encounter during epitaxy. A bubble layer is formed in crystalline silicon approximately 0.6μm beneath the surface through the implantation of hydrogen at 65 keV with fluences of 4 x 10 16 /cm 2 and 3 x 10 16 /cm 2 and annealing for 1 hour at 850 deg C in dry argon. The anneal doesn't out gas all the introduced hydrogen, leaving a remnant gas pressure in the bubbles. The hydrogen implants at the two fluences should yield two samples with different amounts of hydrogen trapped in the bubbles. A buried amorphous layer is created to encompass the bubble layer containing this residual contaminant through silicon self implantation at appropriate energies and fluences. The progress of the front interface of the buried amorphous layer is monitored by time resolved reflectivity (TRR) as SPE is effected at various temperatures

Renewable hydrogen production by catalytic steam reforming of peanut shells pyrolysis products

Energy Technology Data Exchange (ETDEWEB)

Evans, R.J.; Chornet, E.; Czernik, S.; Feik, C.; French, R.; Phillips, S. [National Renewable Energy Lab., Golden, CO (United States); Abedi, J.; Yeboah, Y.D. [Clark Atlanta Univ., Atlanta, GA (United States); Day, D.; Howard, J. [Scientific Carbons Inc., Blakely, GA (United States); McGee, D. [Enviro-Tech Enterprises Inc., Matthews, NC (United States); Realff, M.J. [Georgia Inst. of Technology, Atlanta, GA (United States)

2002-07-01

A project was initiated to determine the feasibility of producing hydrogen from agricultural wastes at a cost comparable to methane-reforming technologies. It is possible that hydrogen can be produced cost competitively with natural gas reforming by integrating hydrogen production with existing waste product utilization processes. This report presents initial results of an engineering demonstration project involving the development of a steam reforming process by a team of government, industrial and academic organizations working at the thermochemical facility at the National Renewable Energy Laboratory. The process is to be used on the gaseous byproducts from a process for making activated carbon from densified peanut shells. The reactor is interfaced with a 20 kg/hour fluidized-bed fast pyrolysis system and takes advantage of process chemical analysis and computer control and monitoring capacity. The reactor will be tested on the pyrolysis vapors produced in the activated carbon process. The final phase of the project will look at the production of hydrogen through the conversion of residual CO to H{sub 2} over a shift catalyst and separating hydrogen from CO{sub 2} using pressure swing adsorption. The purified oxygen will be mixed with natural gas and used for transportation purposes. The study demonstrates the potential impact of hydrogen and bioenergy on the economic development and diversification of rural areas. 11 refs., 2 tabs., 5 figs.

Effect of silane/hydrogen ratio on microcrystalline silicon thin films by remote inductively coupled plasma

Science.gov (United States)

Guo, Y. N.; Wei, D. Y.; Xiao, S. Q.; Huang, S. Y.; Zhou, H. P.; Xu, S.

2013-05-01

Hydrogenated microcrystalline silicon (μc-Si:H) thin films were prepared by remote low frequency inductively coupled plasma (ICP) chemical vapor deposition system, and the effect of silane/hydrogen ratio on the microstructure and electrical properties of μc-Si:H films was systematically investigated. As silane/hydrogen ratio increases, the crystalline volume fraction Fc decreases and the ratio of the intensity of (220) peak to that of (111) peak drops as silane flow rate is increased. The FTIR result indicates that the μc-Si:H films prepared by remote ICP have a high optical response with a low hydrogen content, which is in favor of reducing light-induced degradation effect. Furthermore, the processing window of the phase transition region for remote ICP is much wider than that for typical ICP. The photosensitivity of μc-Si:H films can exceed 100 at the transition region and this ensures the possibility of the fabrication of microcrystalline silicon thin film solar cells with a open-circuit voltage of about 700 mV.

Semiconductor light sources fabricated by vapor phase epitaxial regrowth

International Nuclear Information System (INIS)

Powazinik, W.; Olshansky, R.; Meland, E.; Lauer, R.B.

1986-01-01

An extremely versatile technique for the fabrication of semiconductor light sources is described. The technique which is based on the halide vapor phase regrowth (VPR) of InP on channeled and selectively etched InGaAsP/InP double heterostructure material, results in a buried heterostructure (BH) index-guided VPR-BH diode laser structure which can be optimized for a number of different types of semiconductor light sources. The conditions and parameters associated with the halide VPR process are given, and the properties of the regrown InP are reported. The processing and characterization of high-frequency lasers with 18-GHz bandwidths and high-power lasers with cw single-spatial-mode powers of 60 mW are described. Additionally, the fabrication and characterization of superluminescent LEDs based on the this basic VPR-BH structure are described. These LEDs are capable of coupling more than 80 μW of optical power into a single-mode fiber at 100 mA, and can couple as much as 8 μW of optical power into a single-mode fiber at drive currents as low as 20 mA

The Planck-Benzinger thermal work function in the condensation of water vapor

Science.gov (United States)

Chun, Paul W.

Based on the Planck-Benzinger thermal work function using Chun's method, the innate temperature-invariant enthalpy at 0 K, ?H0(T0), for the condensation of water vapor as well as the dimer, trimer, tetramer, and pentamer form in the vapor phase, was determined to be 0.447 kcal mol-1 for vapor, 1.127 for the dimer, 0.555 for the trimer, 0.236 for the tetramer, and 0.079 kcal mol-1 for the pentamer using ?G(T) data reported by Kell et al. in 1968 and Kell and McLaurin in 1969. These results suggest that the predominant dimeric form is the most stable of these n-mers. Using Nemethy and Scheraga's 1962 data for the Helmholtz free energy of liquid water, the value of ?H0(T0) was determined to be 1.21 kcal mol-1. This is very close to the value for the energy of the hydrogen bond EH of 1.32 kcal mol-1 reported by Nemethy and Scheraga, using statistical thermodynamics. It seems clear that very little energy is required for interconversion between the hypothetical supercooled water vapor and glassy water at 0 K. A hypothetical supercooled water vapor at 0 K is apparently almost as highly associated as glassy water at that temperature, suggesting a dynamic equilibrium between vapor and liquid. This water vapor condensation is highly similar in its thermodynamic behavior to that of sequence-specific pairwise (dipeptide) hydrophobic interaction, except that the negative Gibbs free energy change minimum at ?Ts?, the thermal setpoint for vapor condensation, where T?S = 0, occurs at a considerably lower temperature, 270 K (below 0°C) compared with ?350 K. The temperature of condensation ?Tcond? at which ?G(T) = 0, where water vapor begins to condense, was found to be 383 K. In the case of a sequence-specific pairwise hydrophobic interaction, the melting temperature, ?Tm?, where ?G(Tm) = 0 was found to be 460 K. Only between two temperature limits, ?Th? = 99 K and ?Tcond? = 383 K, where ?G(Tcond) = 0, is the net chemical driving force favorable for polymorphism of glassy water

Phase equilibrium measurements of structure II clathrate hydrates of hydrogen with various promoters

NARCIS (Netherlands)

Torres Trueba, A.; Rovetto, L.J.; Florusse, L.J.; Kroon, M.C.; Peters, C.J.

2011-01-01

Phase equilibrium measurements of single and mixed organic clathrate hydrates with hydrogen were determined within a pressure range of 2.0–14.0 MPa. The organic compounds studied were furan, 2,5-dihydrofuran, tetrahydropyran, 1,3-dioxolane and cyclopentane. These organic compounds are known to form

Confident methods for the evaluation of the hydrogen content in nanoporous carbon microfibers

Science.gov (United States)

Culebras, Mario; Madroñero, Antonio; Cantarero, Andres; Amo, José Maria; Domingo, Concepción; López, Antonio

2012-10-01

Nanoporous carbon microfibers were grown by chemical vapor deposition in the vapor-liquid solid mode using different fluid hydrocarbons as precursors in different proportions. The as-grown samples were further treated in argon and hydrogen atmospheres at different pressure conditions and annealed at several temperatures in order to deduce the best conditions for the incorporation and re-incorporation of hydrogen into the microfibers through the nanopores. Since there are some discrepancies in the results on the hydrogen content obtained under vacuum conditions, in this work, we have measured the hydrogen content in the microfibers using several analytical methods in ambient conditions: surface tension, mass density, and Raman measurements. A discussion on the validity of the results obtained through the correlation between them is the purpose of the present work.

Development of an acoustic wave based biosensor for vapor phase detection of small molecules

Science.gov (United States)

Stubbs, Desmond

For centuries scientific ingenuity and innovation have been influenced by Mother Nature's perfect design. One of her more elusive designs is that of the sensory olfactory system, an array of highly sensitive receptors responsible for chemical vapor recognition. In the animal kingdom this ability is magnified among canines where ppt (parts per trillion) sensitivity values have been reported. Today, detection dogs are considered an essential part of the US drug and explosives detection schemes. However, growing concerns about their susceptibility to extraneous odors have inspired the development of highly sensitive analytical detection tools or biosensors known as "electronic noses". In general, biosensors are distinguished from chemical sensors in that they use an entity of biological origin (e.g. antibody, cell, enzyme) immobilized onto a surface as the chemically-sensitive film on the device. The colloquial view is that the term "biosensors" refers to devices which detect the presence of entities of biological origin, such as proteins or single-stranded DNA and that this detection must take place in a liquid. Our biosensor utilizes biomolecules, specifically IgG monoclonal antibodies, to achieve molecular recognition of relatively small molecules in the vapor phase.

Borazine-boron nitride hybrid hydrogen storage system

Science.gov (United States)

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

2008-04-22

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

Hydrogen storage performance of Ti-V-based BCC phase alloys with various Fe content

International Nuclear Information System (INIS)

Yu, X.B.; Feng, S.L.; Wu, Z.; Xia, B.J.; Xu, N.X.

2005-01-01

The effect of Fe content on hydrogen storage characteristics of Ti-10Cr-18Mn-(32-x)V-xFe (x = 0, 2, 3, 4, 5) alloys has been investigated at 353 K. The X-ray diffraction (XRD) patterns and scanning electron microscopy (SEM) images of the alloys present BCC and C14 two-phase structures for all of the Fe-containing alloys. With the increasing Fe content, the lattice parameters of the BCC phase decrease, which results in an increase of the hydrogen desorption plateau pressure of the alloys. Among the studied alloys, Ti-10Cr-18Mn-27V-5Fe alloy exhibits the smallest PCT plateau slope and a more suitable plateau pressure (0.1 MPa equ <1 MPa). The maximum and effective capacities of the alloy are 3.32 wt.% and 2.26 wt.%, respectively, which are higher than other reported Fe-containing BCC phase alloys. In addition, the V/Fe ratio in this alloy is close to that of (VFe) alloy, whose cost is much lower than that of pure V

Production of higher quality bio-oils by in-line esterification of pyrolysis vapor

Science.gov (United States)

Hilten, Roger Norris; Das, Keshav; Kastner, James R; Bibens, Brian P

2014-12-02

The disclosure encompasses in-line reactive condensation processes via vapor phase esterification of bio-oil to decease reactive species concentration and water content in the oily phase of a two-phase oil, thereby increasing storage stability and heating value. Esterification of the bio-oil vapor occurs via the vapor phase contact and subsequent reaction of organic acids with ethanol during condensation results in the production of water and esters. The pyrolysis oil product can have an increased ester content and an increased stability when compared to a condensed pyrolysis oil product not treated with an atomized alcohol.

Determination of Water Vapor Pressure Over Corrosive Chemicals Versus Temperature Using Raman Spectroscopy as Exemplified with 85.5% Phosphoric Acid

DEFF Research Database (Denmark)

Rodier, Marion; Li, Qingfeng; Berg, Rolf W.

2016-01-01

A method to determine the water vapor pressure over a corrosive substance was developed and tested with 85.5 ± 0.4% phosphoric acid. The water vapor pressure was obtained at a range of temperatures from ∼25 ℃ to ∼200 ℃ using Raman spectrometry. The acid was placed in an ampoule and sealed...... with a reference gas (either hydrogen or methane) at a known pressure (typically ∼0.5 bar). By comparing the Raman signals from the water vapor and the references, the water pressure was determined as a function of temperature. A considerable amount of data on the vapor pressure of phosphoric acid are available...... in the literature, to which our results could successfully be compared. A record value of the vapor pressure, 3.40 bar, was determined at 210 ℃. The method required a determination of the precise Raman scattering ratios between the substance, water, and the used reference gas, hydrogen or methane. In our case...

How deposition parameters control growth dynamics of nc-Si deposited by hot-wire chemical vapor deposition

International Nuclear Information System (INIS)

Moutinho, H.R.; To, B.; Jiang, C.-S.; Xu, Y.; Nelson, B.P.; Teplin, C.W.; Jones, K.M.; Perkins, J.; Al-Jassim, M.M.

2006-01-01

We studied the growth of silicon films deposited by hot-wire chemical vapor deposition under different values of filament current, substrate temperature, and hydrogen dilution ratio. The physical and electrical properties of the films were studied by Raman spectroscopy, x-ray diffraction, atomic force microscopy, conductive-atomic force microscopy, and transmission electron microscopy. There is an interdependence of the growth parameters, and films grown with different parameters can have similar structures. We discuss why this interdependence occurs and how it influences the properties of the deposited films, as well as the deposition rate. In general, the films have a complex structure, with a mixture of amorphous (220)-oriented crystalline and nanocrystalline phases present in most cases. The amount of each phase can be controlled by the variation of one or more of the growth parameters at a time

Conformal coating of amorphous silicon and germanium by high pressure chemical vapor deposition for photovoltaic fabrics

Science.gov (United States)

Ji, Xiaoyu; Cheng, Hiu Yan; Grede, Alex J.; Molina, Alex; Talreja, Disha; Mohney, Suzanne E.; Giebink, Noel C.; Badding, John V.; Gopalan, Venkatraman

2018-04-01

Conformally coating textured, high surface area substrates with high quality semiconductors is challenging. Here, we show that a high pressure chemical vapor deposition process can be employed to conformally coat the individual fibers of several types of flexible fabrics (cotton, carbon, steel) with electronically or optoelectronically active materials. The high pressure (˜30 MPa) significantly increases the deposition rate at low temperatures. As a result, it becomes possible to deposit technologically important hydrogenated amorphous silicon (a-Si:H) from silane by a simple and very practical pyrolysis process without the use of plasma, photochemical, hot-wire, or other forms of activation. By confining gas phase reactions in microscale reactors, we show that the formation of undesired particles is inhibited within the microscale spaces between the individual wires in the fabric structures. Such a conformal coating approach enables the direct fabrication of hydrogenated amorphous silicon-based Schottky junction devices on a stainless steel fabric functioning as a solar fabric.

Vapor-phase hydrothermal transformation of HTiOF3 intermediates into {001} faceted anatase single-crystalline nanosheets.

Science.gov (United States)

Liu, Porun; Wang, Yun; Zhang, Haimin; An, Taicheng; Yang, Huagui; Tang, Zhiyong; Cai, Weiping; Zhao, Huijun

2012-12-07

For the first time, a facile, one-pot hydrofluoric acid vapor-phase hydrothermal (HF-VPH) method is demonstrated to directly grow single-crystalline anatase TiO(2) nanosheets with 98.2% of exposed {001} faceted surfaces on the Ti substrate via a distinctive two-stage formation mechanism. The first stage produces a new intermediate crystal (orthorhombic HTiOF(3) ) that is transformed into anatase TiO(2) nanosheets during the second stage. The findings reveal that the HF-VPH reaction environment is unique and differs remarkably from that of liquid-phase hydrothermal processes. The uniqueness of the HF-VPH conditions can be readily used to effectively control the nanostructure growth. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Numerical simulation of vapor film collapse behavior on high-temperature droplet surface with three-dimensional lattice gas cellular automata

International Nuclear Information System (INIS)

Tochio, Daisuke; Abe, Yutaka; Matsukuma, Yosuke

2008-01-01

It is pointed out that a vapor film on a premixed high-temperature droplet surface is needed to be collapsed to trigger vapor explosion. Thus, it is important to clarify the micromechanism of vapor film collapse behavior for the occurrence of vapor explosion. In a previous study, it is suggested experimentally that vapor film collapse behavior is dominated by phase change phenomena rather than by the surrounding fluid motion. In the present study, vapor film collapse behavior is investigated to clarify the dominant factor of vapor film collapse behavior with lattice gas automata of three-dimensional immiscible lattice gas model (3-D ILG model). First, in order to represent the boiling and phase change phenomena, the thermal model of a heat wall model and a phase change model is newly constructed. Next, the numerical simulation of vapor film collapse behavior is performed with and without the phase change effect. As a result, the computational result with the phase change effect is observed to be almost same as the experimental result. It can be considered that vapor film collapse behavior is dominated by phase change phenomena. (author)

Gas-Phase Reaction Pathways and Rate Coefficients for the Dichlorosilane-Hydrogen and Trichlorosilane-Hydrogen Systems

Science.gov (United States)

Dateo, Christopher E.; Walch, Stephen P.

2002-01-01

As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.

The equilibrium hydrogen pressure-temperature diagram for the liquid sodium-hydrogen-oxygen system

International Nuclear Information System (INIS)

Knights, C.F.; Whittingham, A.C.

1982-01-01

The underlying equilibria in the sodium-hydrogen-oxygen system are presented in the form of a completmentary hydrogen equilibrium pressure-temperature diagram, constructed by using published data and supplemented by experimental measurements of hydrogen equilibrium pressures over condensed phases in the system. Possible applications of the equilibrium pressure-temperature phase diagram limitations regarding its use are outlined

IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

Energy Technology Data Exchange (ETDEWEB)

Ni, Yicun; Skinner, J. L. [Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706 (United States)

2015-07-07

Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFG spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm{sup −1} and a positive band centered at 1670 cm{sup −1}. We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.

IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

Science.gov (United States)

Ni, Yicun; Skinner, J. L.

2015-07-01

Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFG spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm-1 and a positive band centered at 1670 cm-1. We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.

Standard-B Hydrogen Monitoring System, system design description

International Nuclear Information System (INIS)

Schneider, T.C.

1995-01-01

During most of the year, it is assumed that the vapor in the 177 radioactive waste tanks on the Hanford Project site contain a uniform mixture of gases. Several of these waste tanks (currently twenty five, 6 Double Shell Tanks and 19 Single Shell Tanks) were identified as having the potential for the buildup of gases to a flammable level. An active ventilation system in the Double Shell Tanks and a passive ventilation system in the Single Shell Tanks provides a method of expelling gases from the tanks. A gas release from a tank causes a temporary rise in the tank pressure, and a potential for increased concentration of hydrogen gas in the vapor space. The gas is released via the ventilation systems until a uniform gas mixture in the vapor space is once again achieved. This document describes the design of the Standard-B Hydrogen Monitoring System, (SHMS) and its components as it differs from the original SHMS. The differences are derived from changes made to improve the system performance but not implemented in all the installed enclosures

Using advanced oxidation treatment for biofilm inactivation by varying water vapor content in air plasma

Science.gov (United States)

Ryota, Suganuma; Koichi, Yasuoka

2015-09-01

Biofilms are caused by environmental degradation in food factories and medical facilities. The inactivation of biofilms involves making them react with chemicals including chlorine, hydrogen peroxide, and ozone, although inactivation using chemicals has a potential problem because of the hazardous properties of the residual substance and hydrogen peroxide, which have slow reaction velocity. We successfully performed an advanced oxidation process (AOP) using air plasma. Hydrogen peroxide and ozone, which were used for the formation of OH radicals in our experiment, were generated by varying the amount of water vapor supplied to the plasma. By varying the content of the water included in the air, the main product was changed from air plasma. When we increased the water content in the air, hydrogen peroxide was produced, while ozone peroxide was produced when we decreased the water content in the air. By varying the amount of water vapor, we realized a 99.9% reduction in the amount of bacteria in the biofilm when we discharged humidified air only. This work was supported by JSPS KAKENHI Grant Number 25630104.

Hydrogen in niobium, tantalum, and vanadium: Structures, phase diagrams, and morphologies

International Nuclear Information System (INIS)

Schober, T.

1978-07-01

The paper discusses basic aspects of the reactions between the metals niobium, tantalum, vanadium, and hydrogen or deuterium. After an introduction to problems of preparation experimental technqiues for the investigation of hydrides are presented. The possible hydride structures are discussed. With vanadium, there are great differences between the structures of hydrides and deuterides. Detailed mention is also made of recent measurements of the NGH, TaH, VH, and VD phase diagrams. (orig./WBU) [de

Determination of the hydrogen isotopic compositions of organic materials and hydrous minerals using thermal combustion laser spectroscopy.

Science.gov (United States)

Koehler, Geoff; Wassenaar, Leonard I

2012-04-17

Hydrogen isotopic compositions of hydrous minerals and organic materials were measured by combustion to water, followed by optical isotopic analysis of the water vapor by off-axis integrated cavity output spectroscopy. Hydrogen and oxygen isotopic compositions were calculated by numerical integration of the individual isotopologue concentrations measured by the optical spectrometer. Rapid oxygen isotope exchange occurs within the combustion reactor between water vapor and molecular oxygen so that only hydrogen isotope compositions may be determined. Over a wide range in sample sizes, precisions were ±3-4 per mil. This is comparable but worse than continuous flow-isotope ratio mass spectroscopy (CF-IRMS) methods owing to memory effects inherent in water vapor transfer. Nevertheless, the simplicity and reduced cost of this analysis compared to classical IRMS or CF-IRMS methods make this an attractive option to determine the hydrogen isotopic composition of organic materials where the utmost precision or small sample sizes are not needed.

Estimated vapor pressure for WTP process streams

Energy Technology Data Exchange (ETDEWEB)

Pike, J. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Poirier, M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2015-01-01

Design assumptions during the vacuum refill phase of the Pulsed Jet Mixers (PJMs) in the Hanford Waste Treatment and Immobilization Plant (WTP) equate the vapor pressure of all process streams to that of water when calculating the temperature at which the vacuum refill is reduced or eliminated. WTP design authority asked the authors to assess this assumption by performing calculations on proposed feed slurries to calculate the vapor pressure as a function of temperature. The vapor pressure was estimated for each WTP waste group. The vapor pressure suppression caused by dissolved solids is much greater than the increase caused by organic components such that the vapor pressure for all of the waste group compositions is less than that of pure water. The vapor pressure for each group at 145°F ranges from 81% to 98% of the vapor pressure of water. If desired, the PJM could be operated at higher temperatures for waste groups with high dissolved solids that suppress vapor pressure. The SO4 group with the highest vapor pressure suppression could be operated up to 153°F before reaching the same vapor pressure of water at 145°F. However, most groups would reach equivalent vapor pressure at 147 to 148°F. If any of these waste streams are diluted, the vapor pressure can exceed the vapor pressure of water at mass dilution ratios greater than 10, but the overall effect is less than 0.5%.

Technical Integration of Nuclear Hydrogen Production Technology

International Nuclear Information System (INIS)

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

2009-04-01

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

Calculation of vapor pressure of fission product fluorides and oxyfluorides

International Nuclear Information System (INIS)

Roux, J.P.

1976-03-01

The equilibrium diagrams of the condensed phases - solid and liquid - and vapor phase are collected for the principal fluorides and oxyfluorides of fission product elements (atomic number from 30 to 66). These diagrams are used more particularly in fuel reprocessing by fluoride volatility process. Calculations and curves (vapor pressure in function of temperature) are processed using a computer program given in this report [fr

Bose–Einstein condensation in a vapor of sodium atoms in an electric field

Energy Technology Data Exchange (ETDEWEB)

You, Pei-Lin, E-mail: youpeli@163.com

2016-06-15

Bose–Einstein condensation (BEC) at normal temperature (T=343K) has been observed because an electric field was first applied. There are two ways to achieve phase transition: lower the temperature of Bose gas or increase its density. This article provides more appropriate method: increase the voltage. In theory, 3s and 3p states of sodium are not degenerate, but Na may be polar atom doesnot conflict with quantum mechanics because it is hydrogen-like atom. Our innovation lies in we applied an electric field used for the orientation polarization. Na vapor was filled in a cylindrical capacitor. In order to determine the polarity of sodium, we measured the capacitance at different temperatures. If Na is non-polar atom, its capacitance should be independent of temperature because the nucleus of atom is located at the center of the electron cloud. But our experiment shows that its capacitance is related to temperature, so Na is polar atom. In order to achieve Na vapor phase transition, we measured the capacitance at different voltages. From the entropy of Na vapor S=0, the critical voltage V{sub c}=68volts. When V0; when V>V{sub c}, the atoms become aligned with the field S<0, phase transition occurred. When V=390 volts »V{sub c}, the capacitance decreased from C=1.9C{sub 0} to C≈C{sub 0} (C{sub 0} is the vacuum capacitance), this result implies that almost all the Na atoms (more than 98%) are aligned with the field, Na vapor entered quasi-vacuum state. We create a BEC with 2.506×10{sup 17} atoms, condensate fraction reached 98.9%. This is BEC in momentum space. Our experiment shows that if a Bose gas enters quasi-vacuum state, this also means that it underwent phase transition and generates BEC. Therefore, quasi-vacuum state of alkali gas is essentially large-scale BEC. This is an unexpected discovery. BEC and vacuum theory are two unrelated research areas, but now they are closely linked together. The maximum

Reduction kinetics of zinc and cadmium sulfides with hydrogen

International Nuclear Information System (INIS)

Turgenev, I.S.; Kabisov, I.Kh.; Zviadadze, G.N.; Vasil'eva, O.Yu.

1985-01-01

Kinetics of reduction processes of zinc sulfide in the temperature range 800-1100 deg C and of cadmium sulfide 600-900 deg C has been stodied. Activation energies and reaction order in terms of hydrogen are calculated. Thermodynamic processes of reduction depend on aggregate state of the metal formed. For vaporous zinc in the temperature range 1050-950 deq C activation energy constitutes 174 kJ/mol, for liquid in the range 900-850 deg - 151 kJ/mol and reaction order in terms of hydrogen is 1.0. For vaporous cadmium in the temperature range 900-700 deg C activation energy constitutes 144 kJ/mol and reaction order in terms of hydrogen is 0.86, for liquid in the range 675-600 deg C 127 kJ/mol and 0.8 respectively. The processes of zinc and cadmium sulfide reduction proceed in kinetic regime and are limited by the rate of chemical reaction

Influence of hydrogen absorption on magnetic ordering in some zirconium-based Laves phase compounds

International Nuclear Information System (INIS)

Fujii, H.; Pourarian, F.; Wallace, W.E.

1982-01-01

Magnetization measurements were carried out on several zirconium-based hexagonal Laves phase compounds, i.e. the ZrMnsub(2+delta), (Zr,Ti)Mn 2 , Zr(Mn,Fe) 2 and Zr(Fe,Al) 2 systems and their hydrides. The absorbed hydrogen leads to a large increase (20%-30%) in volume without a change in the crystal structure. ZrMnsub(2+delta) is a weak Pauli paramagnet but becomes a spin glass near-ferromagnet by hydriding, indicating that the manganese moments are subjected to competing ferromagnetic and antiferromagnetic coupling tendencies. In the (Zrsub(1-x)Tisub(x))Mn 2 hydrides, ferromagnetic, spin-glass-like, ferromagnetic and antiferromagnetic behaviors appear at 4.2 K in the sequence of increasing x and/or decrease in hydrogen concentration. In the Zr(Mn,Fe) 2 system, the hydrogen absorption increases both the magnetic moments and the magnetic transition temperatures, while absorbed hydrogen leads to suppression of ferromagnetism in the Zr(Fe,Al) 2 system. These varied and complex magnetic behaviors are attributed to the effects of (1) variations in the interatomic distances, (2) changes in the 3d electron concentration and (3) varying local hydrogen concentrations occurring as a result of statistical fluctuations. (Auth.)

Numerical simulation of superheated vapor bubble rising in stagnant liquid

Science.gov (United States)

Samkhaniani, N.; Ansari, M. R.

2017-09-01

In present study, the rising of superheated vapor bubble in saturated liquid is simulated using volume of fluid method in OpenFOAM cfd package. The surface tension between vapor-liquid phases is considered using continuous surface force method. In order to reduce spurious current near interface, Lafaurie smoothing filter is applied to improve curvature calculation. Phase change is considered using Tanasawa mass transfer model. The variation of saturation temperature in vapor bubble with local pressure is considered with simplified Clausius-Clapeyron relation. The couple velocity-pressure equation is solved using PISO algorithm. The numerical model is validated with: (1) isothermal bubble rising and (2) one-dimensional horizontal film condensation. Then, the shape and life time history of single superheated vapor bubble are investigated. The present numerical study shows vapor bubble in saturated liquid undergoes boiling and condensation. It indicates bubble life time is nearly linear proportional with bubble size and superheat temperature.

Theoretical study on platinum-catalyzed isotope exchange reaction mechanism of hydrogen and liquid water

International Nuclear Information System (INIS)

Hu Sheng; Wang Heyi; Luo Shunzhong

2009-04-01

Based on electron and vibration approximate means and the density function theory B3LYP, the ΔG degree and equilibrium pressures of adsorption and dissociation reactions of H 2 and water vapor on Pt surface have been calculated. The adsorption, dissociation and coadsorption actions of H 2 and water were analyzed. According to the ΔG degree, hydrogen molecule combines with metal atoms in single atom, and water vapor molecule has no tendency to dissociate on Pt surface. The dissociation of hydrogen molecule would hold back the direct adsorption of water vapor molecules on Pt surface. The structures of Pt-H (OH 2 ) n + (n=1, 2, 3) hydroniums were optimized. According to the mulliken overlap populations, Pt-H (OH 2 ) + is not stable or produced. Hydrogen isotope exchange occurs between hydration layer and D atoms which adsorb on Pt surface via intermediates (H 2 O) n D + (ads) (n≥2). (authors)

Mockup tests of void fraction in moderator cell and two-phase thermosiphon loop of cold neutron source in China Advanced Research Reactor

International Nuclear Information System (INIS)

Du Shejiao; Bi Qincheng; Chen Tingkuan; Feng Quanke; Li Xiaoming

2004-01-01

Full-scale mockup tests were carried out using freon-113 as a working fluid to verify the design of China Advanced Research Reactor (CARR) Cold neutron Source (CNS), which is a two-phase hydrogen thermosiphon loop consisting of an annular cylindrical moderator cell, two separated hydrogen transfer tubes and a condenser. The circulation characteristics, liquid level and void fraction in the moderator cell against the variation of the heat load were studied. The density ratio and the volumetric evaporating rate of the mockup test are kept the same as those of CARR CNS. The test results show that the mockup loop can establish stable circulation and has a self-regulating characteristic. Within the moderator cell, the inner shell contains only vapor and the outer shell contains the mixture of vapor-liquid with void fraction in a certain range. (authors)

InAs film grown on Si(111) by metal organic vapor phase epitaxy

International Nuclear Information System (INIS)

Caroff, P; Jeppsson, M; Mandl, B; Wernersson, L-E; Wheeler, D; Seabaugh, A; Keplinger, M; Stangl, J; Bauer, G

2008-01-01

We report the successful growth of high quality InAs films directly on Si(111) by Metal Organic Vapor Phase Epitaxy. A nearly mirror-like and uniform InAs film is obtained at 580 0 C for a thickness of 2 μm. We measured a high value of the electron mobility of 5100 cm 2 /Vs at room temperature. The growth is performed using a standard two-step procedure. The influence of the nucleation layer, group V flow rate, and layer thickness on the electrical and morphological properties of the InAs film have been investigated. We present results of our studies by Atomic Force Microscopy, Scanning Electron Microscopy, electrical Hall/van der Pauw and structural X-Ray Diffraction characterization

A sharp interface method for compressible liquid–vapor flow with phase transition and surface tension

Energy Technology Data Exchange (ETDEWEB)

Fechter, Stefan, E-mail: stefan.fechter@iag.uni-stuttgart.de [Institut für Aerodynamik und Gasdynamik, Universität Stuttgart, Pfaffenwaldring 21, 70569 Stuttgart (Germany); Munz, Claus-Dieter, E-mail: munz@iag.uni-stuttgart.de [Institut für Aerodynamik und Gasdynamik, Universität Stuttgart, Pfaffenwaldring 21, 70569 Stuttgart (Germany); Rohde, Christian, E-mail: Christian.Rohde@mathematik.uni-stuttgart.de [Institut für Angewandte Analysis und Numerische Simulation, Universität Stuttgart, Pfaffenwaldring 57, 70569 Stuttgart (Germany); Zeiler, Christoph, E-mail: Christoph.Zeiler@mathematik.uni-stuttgart.de [Institut für Angewandte Analysis und Numerische Simulation, Universität Stuttgart, Pfaffenwaldring 57, 70569 Stuttgart (Germany)

2017-05-01

The numerical approximation of non-isothermal liquid–vapor flow within the compressible regime is a difficult task because complex physical effects at the phase interfaces can govern the global flow behavior. We present a sharp interface approach which treats the interface as a shock-wave like discontinuity. Any mixing of fluid phases is avoided by using the flow solver in the bulk regions only, and a ghost-fluid approach close to the interface. The coupling states for the numerical solution in the bulk regions are determined by the solution of local two-phase Riemann problems across the interface. The Riemann solution accounts for the relevant physics by enforcing appropriate jump conditions at the phase boundary. A wide variety of interface effects can be handled in a thermodynamically consistent way. This includes surface tension or mass/energy transfer by phase transition. Moreover, the local normal speed of the interface, which is needed to calculate the time evolution of the interface, is given by the Riemann solution. The interface tracking itself is based on a level-set method. The focus in this paper is the description of the two-phase Riemann solver and its usage within the sharp interface approach. One-dimensional problems are selected to validate the approach. Finally, the three-dimensional simulation of a wobbling droplet and a shock droplet interaction in two dimensions are shown. In both problems phase transition and surface tension determine the global bulk behavior.

DETERMINING HOW VAPOR PHASE MTBE REACHES GROUND WATER

Science.gov (United States)

EPA Region 2 and ORD have funded a RARE project for FY 2005/2006 to evaluate the prospects that MTBE (and other fuel components) in vapors that escape from an underground storage tank (UST) can find its way to ground water produced by monitoring wells at a gasoline filling statio...

Microwave assisted chemical vapor infiltration

International Nuclear Information System (INIS)

Devlin, D.J.; Currier, R.P.; Barbero, R.S.; Espinoza, B.F.; Elliott, N.

1991-01-01

A microwave assisted process for production of continuous fiber reinforced ceramic matrix composites is described. A simple apparatus combining a chemical vapor infiltration reactor with a conventional 700 W multimode oven is described. Microwave induced inverted thermal gradients are exploited with the ultimate goal of reducing processing times on complex shapes. Thermal gradients in stacks of SiC (Nicalon) cloths have been measured using optical thermometry. Initial results on the ''inside out'' deposition of SiC via decomposition of methyltrichlorosilane in hydrogen are presented. Several key processing issues are identified and discussed. 5 refs

Spectroscopy of helium hydride and triatomic hydrogen molecules

International Nuclear Information System (INIS)

Ketterle, W.

1986-07-01

Helium hydride and triatomic hydrogen has been produced by charge exchange between fast mass selected beams of molecular ions and alkali vapor. Using this method, the first discrete spectra of helium hydride were obtained. Fine electronic transitions with resolved rotational structure were observed in the visible and near infrared. Four isotopic mixtures were studied. Furthermore the first lifetime measurement of triatomic hydrogen states were performed and compared to theoretical predictions. (orig.)

Distribution of multi-component solvents in solvent vapor extraction chamber

Energy Technology Data Exchange (ETDEWEB)

Das, S. [Society of Petroleum Engineers, Richardson, TX (United States)]|[Marathon Oil Corp., Houston, TX (United States)

2008-10-15

Vapex process performance is sensitive to operating pressures, temperatures and the types of solvent used. The hydrocarbon solvents used in Vapex processes typically have between 5 and 10 per cent hydrocarbon impurities, and the accumulation of dense phases inside the vapor chamber reduces gravity drainage potential. This study investigated the partitioning of solvent compounds inside the vapor chamber during in situ Vapex processes.The aim of the study was to examine how the different components of the mixed solvent partitioned inside the extracted chamber during the oil and vapor phase. A 2-D homogenous reservoir model was used to simulate the Vapex process with a solvent mixture comprised of propane and methane at various percentages. The effect of injecting a hot solvent vapor was also investigated. The study showed that injected methane accumulated at both the top and the extraction interface. Accumulations near the top had a positive impact on solvent confinement in thin reservoirs. Diffusion of the solvent component was controlled by gas phase molecular diffusion, and was much faster than the diffusion of solvent molecules in the liquid phase. The use of hot solvent mixtures slowed the extraction process due to lower solvent solubility in the oil phase. It was concluded that the negative impact on viscosity reduction by dilution was not compensated by rises in temperature. 6 refs., 11 figs.

First Principles Based Simulation of Reaction-Induced Phase Transition in Hydrogen Storage and Other Materials

Energy Technology Data Exchange (ETDEWEB)

Ge, Qingfeng [Southern Illinois Univ., Carbondale, IL (United States)

2014-08-31

This major part of this proposal is simulating hydrogen interactions in the complex metal hydrides. Over the period of DOE BES support, key achievements include (i) Predicted TiAl₃Hx as a precursor state for forming TiAl₃ through analyzing the Ti-doped NaAlH₄ and demonstrated its catalytic role for hydrogen release; (ii) Explored the possibility of forming similar complex structures with other 3d transition metals in NaAlH₄ as well as the impact of such complex structures on hydrogen release/uptake; (iii) Demonstrated the role of TiAl₃ in hydriding process; (iv) Predicted a new phase of NaAlH₄ that links to Na3AlH6 using first-principles metadynamics; (v) Examined support effect on hydrogen release from supported/encapsulated NaAlH₄; and (vi) Expanded research scope beyond hydrogen storage. The success of our research is documented by the peer-reviewed publications.

Mobile vapor recovery and vapor scavenging unit

International Nuclear Information System (INIS)

Stokes, C.A.; Steppe, D.E.

1991-01-01

This patent describes a mobile anti- pollution apparatus, for the recovery of hydrocarbon emissions. It comprises a mobile platform upon which is mounted a vapor recovery unit for recovering vapors including light hydrocarbons, the vapor recovery unit having an inlet and an outlet end, the inlet end adapted for coupling to an external source of hydrocarbon vapor emissions to recover a portion of the vapors including light hydrocarbons emitted therefrom, and the outlet end adapted for connection to a means for conveying unrecovered vapors to a vapor scavenging unit, the vapor scavenging unit comprising an internal combustion engine adapted for utilizing light hydrocarbon in the unrecovered vapors exiting from the vapor recovery unit as supplemental fuel

Safe production and application of hydrogen at Munich airport

Energy Technology Data Exchange (ETDEWEB)

Szamer, R.

2005-07-01

At Munich International Airport the world's first public filling station for liquid and gaseous hydrogen with on-site hydrogen gas production has been installed. In order to prove the safety, liability and economic feasibility of hydrogen this pilot project examined the complete sequence of hydrogen production and application: on-site production with pressurized electrolyser and steam reformer, storage and filling of gaseous and liquid hydrogen, application of hydrogen for propelling several vehicles, e.g. airport busses in day to day operation, cars, fork lifter. TUV SUD Group, one of the largest service provider for technical safety and quality, was involved in the safety evaluation of the hydrogen project from the very beginning with the following services: safety consultancy throughout all project phases, e.g. for licensing procedures, plant design and operation safety analysis of the overall plant and of subsystems (electrolyser, filling stations, storage tanks, control systems etc.) safety assessment and acceptance testing of CH2 busses, CH2 fork lifter and LH2 passenger cars inspections and tests The challenges of this complex project relating to safety will be presented in the lecture, e.g. identification of potential hazards, safety requirements for the design and operation of the hydrogen plant as wells as for the various applications. Project description The hydrogen plant (cf. Figure 1) comprises two supply paths, one for compressed gaseous hydrogen (CH2) and one for cryogenic liquid hydrogen. Gaseous hydrogen is produced via high-pressure electrolysis at an operating pressure of 3 MPa (30 bar) and/or steam reforming process. The hydrogen will be led into a compressor, compressed to 35 MPa (350 bar) and stored in high pressure cylinders with a total geometrical storage volume of 10 m. The cylinders supply the high-pressure filling stations which refuels the 3 hydrogen buses and the fork lifter. Liquid hydrogen (LH2) is delivered in tank trucks and

Uptake rate constants and partition coefficients for vapor phase organic chemicals using semipermeable membrane devices (SPMDs)

Science.gov (United States)

Cranor, W.L.; Alvarez, D.A.; Huckins, J.N.; Petty, J.D.

2009-01-01

To fully utilize semipermeable membrane devices (SPMDs) as passive samplers in air monitoring, data are required to accurately estimate airborne concentrations of environmental contaminants. Limited uptake rate constants (kua) and no SPMD air partitioning coefficient (Ksa) existed for vapor-phase contaminants. This research was conducted to expand the existing body of kinetic data for SPMD air sampling by determining kua and Ksa for a number of airborne contaminants including the chemical classes: polycyclic aromatic hydrocarbons, organochlorine pesticides, brominated diphenyl ethers, phthalate esters, synthetic pyrethroids, and organophosphate/organosulfur pesticides. The kuas were obtained for 48 of 50 chemicals investigated and ranged from 0.03 to 3.07??m3??g-1??d-1. In cases where uptake was approaching equilibrium, Ksas were approximated. Ksa values (no units) were determined or estimated for 48 of the chemicals investigated and ranging from 3.84E+5 to 7.34E+7. This research utilized a test system (United States Patent 6,877,724 B1) which afforded the capability to generate and maintain constant concentrations of vapor-phase chemical mixtures. The test system and experimental design employed gave reproducible results during experimental runs spanning more than two years. This reproducibility was shown by obtaining mean kua values (n??=??3) of anthracene and p,p???-DDE at 0.96 and 1.57??m3??g-1??d-1 with relative standard deviations of 8.4% and 8.6% respectively.

Electrochemical properties of N-doped hydrogenated amorphous carbon films fabricated by plasma-enhanced chemical vapor deposition methods

Energy Technology Data Exchange (ETDEWEB)

Tanaka, Yoriko; Furuta, Masahiro; Kuriyama, Koichi; Kuwabara, Ryosuke; Katsuki, Yukiko [Division of Environmental Science and Engineering, Graduate School of Science and Engineering, Yamaguchi University, 1677-1 Yoshida, Yamaguchi-shi, Yamaguchi 753-8512 (Japan); Kondo, Takeshi [Department of Pure and Applied Chemistry, Faculty of Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda 278-8510 (Japan); Fujishima, Akira [Kanagawa Advanced Science and Technology (KAST), 3-2-1, Sakato, Takatsu-ku, Kawasaki-shi, Kanagawa 213-0012 (Japan); Honda, Kensuke, E-mail: khonda@yamaguchi-u.ac.j [Division of Environmental Science and Engineering, Graduate School of Science and Engineering, Yamaguchi University, 1677-1 Yoshida, Yamaguchi-shi, Yamaguchi 753-8512 (Japan)

2011-01-01

Nitrogen-doped hydrogenated amorphous carbon thin films (a-C:N:H, N-doped DLC) were synthesized with microwave-assisted plasma-enhanced chemical vapor deposition widely used for DLC coating such as the inner surface of PET bottles. The electrochemical properties of N-doped DLC surfaces that can be useful in the application as an electrochemical sensor were investigated. N-doped DLC was easily fabricated using the vapor of nitrogen contained hydrocarbon as carbon and nitrogen source. A N/C ratio of resulting N-doped DLC films was 0.08 and atomic ratio of sp{sup 3}/sp{sup 2}-bonded carbons was 25/75. The electrical resistivity and optical gap were 0.695 {Omega} cm and 0.38 eV, respectively. N-doped DLC thin film was found to be an ideal polarizable electrode material with physical stability and chemical inertness. The film has a wide working potential range over 3 V, low double-layer capacitance, and high resistance to electrochemically induced corrosion in strong acid media, which were the same level as those for boron-doped diamond (BDD). The charge transfer rates for the inorganic redox species, Fe{sup 2+/3+} and Fe(CN){sub 6}{sup 4-/3-} at N-doped DLC were sufficiently high. The redox reaction of Ce{sup 2+/3+} with standard potential higher than H{sub 2}O/O{sub 2} were observed due to the wider potential window. At N-doped DLC, the change of the kinetics of Fe(CN){sub 6}{sup 3-/4-} by surface oxidation is different from that at BDD. The rate of Fe(CN){sub 6}{sup 3-/4-} was not varied before and after oxidative treatment on N-doped DLC includes sp{sup 2} carbons, which indicates high durability of the electrochemical activity against surface oxidation.

LARGE-SCALE PRODUCTION OF HYDROGEN BY NUCLEAR ENERGY FOR THE HYDROGEN ECONOMY

International Nuclear Information System (INIS)

SCHULTZ, K.R.; BROWN, L.C.; BESENBRUCH, G.E.; HAMILTON, C.J.

2003-01-01

OAK B202 LARGE-SCALE PRODUCTION OF HYDROGEN BY NUCLEAR ENERGY FOR THE HYDROGEN ECONOMY. The ''Hydrogen Economy'' will reduce petroleum imports and greenhouse gas emissions. However, current commercial hydrogen production processes use fossil fuels and releases carbon dioxide. Hydrogen produced from nuclear energy could avoid these concerns. The authors have recently completed a three-year project for the US Department of Energy whose objective was to ''define an economically feasible concept for production of hydrogen, by nuclear means, using an advanced high-temperature nuclear reactor as the energy source''. Thermochemical water-splitting, a chemical process that accomplishes the decomposition of water into hydrogen and oxygen, met this objective. The goal of the first phase of this study was to evaluate thermochemical processes which offer the potential for efficient, cost-effective, large-scale production of hydrogen and to select one for further detailed consideration. The authors selected the Sulfur-Iodine cycle, In the second phase, they reviewed all the basic reactor types for suitability to provide the high temperature heat needed by the selected thermochemical water splitting cycle and chose the helium gas-cooled reactor. In the third phase they designed the chemical flowsheet for the thermochemical process and estimated the efficiency and cost of the process and the projected cost of producing hydrogen. These results are summarized in this paper

High density hydrogen research

International Nuclear Information System (INIS)

Hawke, R.S.

1977-01-01

The interest in the properties of very dense hydrogen is prompted by its abundance in Saturn and Jupiter and its importance in laser fusion studies. Furthermore, it has been proposed that the metallic form of hydrogen may be a superconductor at relatively high temperatures and/or exist in a metastable phase at ambient pressure. For ten years or more, laboratories have been developing the techniques to study hydrogen in the megabar region (1 megabar = 100 GPa). Three major approaches to study dense hydrogen experimentally have been used, static presses, shockwave compression, and magnetic compression. Static tchniques have crossed the megabar threshold in stiff materials but have not yet been convincingly successful in very compressible hydrogen. Single and double shockwave techniques have improved the precision of the pressure, volume, temperature Equation of State (EOS) of molecular hydrogen (deuterium) up to near 1 Mbar. Multiple shockwave and magnetic techniques have compressed hydrogen to several megabars and densities in the range of the metallic phase. The net result is that hydrogen becomes conducting at a pressure between 2 and 4 megabars. Hence, the possibility of making a significant amount of hydrogen into a metal in a static press remains a formidable challenge. The success of such experiments will hopefully answer the questions about hydrogen's metallic vs. conducting molecular phase, superconductivity, and metastability. 4 figures, 15 references

Investigation of the adsorption of water vapor and carbon dioxide by KA zeolite

International Nuclear Information System (INIS)

Khanitonov, V.P.; Shtein, A.S.

1984-01-01

According to the present data, KA zeolite, which can adsorb only water vapor, helium, and hydrogen, has the greatest selectivity in drying. The feasibility of using this zeolite in devices for selective drying of gases used in gas-analysis systems was studied. The results of the experiments were approximated by the thermal equation of the theory of bulk filling of micropores. The limiting value of the adsorption depends on the temperature, and it can be calculated according to the density of the adsorbed phase and the adsorption volume. The critical diameters of the water and carbon dioxide molecules are close to the dimensions of the KA-zeolite pores, something that determines the activated nature of the adsorption of these substances. Experiments on coadsorption of water vapor and carbon dioxide by a fixed bed of KA-zeolite under dynamic conditions showed that the adsorption of these substances has a frontal nature. The time of the protective action of the layer of zeolite during adsorption af water vapor exceeded by more than an order the time of the protective action during adsorption of carbon dioxide. The results showed that this adsorbent can be used for selective drying of gas mixtures containing carbon dioxide in batch-operation devices. Beforehand, the adsorbent should be regenerated with respect to moisture, and then it should be saturated with carbon dioxide by blowing the adsorbent with a gas mixture of the working composition until the equilibrium state is reached

Method for the generation of variable density metal vapors which bypasses the liquidus phase

Science.gov (United States)

Kunnmann, Walter; Larese, John Z.

2001-01-01

The present invention provides a method for producing a metal vapor that includes the steps of combining a metal and graphite in a vessel to form a mixture; heating the mixture to a first temperature in an argon gas atmosphere to form a metal carbide; maintaining the first temperature for a period of time; heating the metal carbide to a second temperature to form a metal vapor; withdrawing the metal vapor and the argon gas from the vessel; and separating the metal vapor from the argon gas. Metal vapors made using this method can be used to produce uniform powders of the metal oxide that have narrow size distribution and high purity.

Vapor pressure, heat capacities, and phase transitions of tetrakis(tert-butoxy)hafnium

Czech Academy of Sciences Publication Activity Database

Fulem, Michal; Růžička, K.

2011-01-01

Roč. 311, Dec. (2011), s. 25-29 ISSN 0378-3812 Institutional research plan: CEZ:AV0Z10100521 Keywords : tetrakis(tert-butoxy)hafnium * MO precursor * vapor pressure * heat capacity * vaporization enthalpy * enthalpy of fusion Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.139, year: 2011

Catalytic effect of additional metallic phases on the hydrogen absorption behavior of a Zr-Based alloy

International Nuclear Information System (INIS)

Ruiz, F; Peretti, H; Castro, E; Real, S; Visitin, A; Triaca, W

2005-01-01

The electrochemical hydrogen absorption of electrodes containing Zr 0 .9Ti 0 .1(Ni 0 .5Mn 0 .25Cr 0 .20V 0 .05) 2 is studied in alkaline media by monitoring the activation and discharge capacity along charge-discharge cycling.The considered alloy is tested in both as melted and annealed condition in order to investigate the catalytic effect of small amounts of micro segregated secondary phases of the Zr-Ni system. Since these catalytic phases are only present in the as melted alloys, tests are also carried out using a composite material elaborated from powders of the annealed alloy with the addition of 18 wt.% of the suspected catalytic phases, melted separately.The hydrogen absorption-desorption behavior for the different cases is discussed and correlated with the metallurgical characterization of the materials.The catalytic effects are studied employing cyclic voltammetry and electrochemical impedance techniques. The results are analyzed in terms of a developed physicochemical model

Predicting the growth of S i3N4 nanowires by phase-equilibrium-dominated vapor-liquid-solid mechanism

Science.gov (United States)

Zhang, Yongliang; Cai, Jing; Yang, Lijun; Wu, Qiang; Wang, Xizhang; Hu, Zheng

2017-09-01

Nanomaterial synthesis is experiencing a profound evolution from empirical science ("cook-and-look") to prediction and design, which depends on the deep insight into the growth mechanism. Herein, we report a generalized prediction of the growth of S i3N4 nanowires by nitriding F e28S i72 alloy particles across different phase regions based on our finding of the phase-equilibrium-dominated vapor-liquid-solid (PED-VLS) mechanism. All the predictions about the growth of S i3N4 nanowires, and the associated evolutions of lattice parameters and geometries of the coexisting Fe -Si alloy phases, are experimentally confirmed quantitatively. This progress corroborates the general validity of the PED-VLS mechanism, which could be applied to the design and controllable synthesis of various one-dimensional nanomaterials.

Boron-Based Hydrogen Storage: Ternary Borides and Beyond

Energy Technology Data Exchange (ETDEWEB)

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

2016-04-28

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

Feasibility of using of the second gradient theory for the direct numerical simulation of liquid-vapor flows with phase-change; Etude des potentialites de la theorie du second gradient pour la simulation numerique directe des ecoulements liquide-vapeur avec changement de phase

Energy Technology Data Exchange (ETDEWEB)

Jamet, D. [CEA Grenoble, 38 (France). Dept. de Thermohydraulique et de Physique]|[Ecole Centrale de Paris, 75 (France)

1998-12-31

One on the main difficulties encountered in the direct numerical simulation of two-phase flows in general and of liquid-vapor flows with phase-change in particular, is the interface tracking. The idea developed in this work consists in modeling a liquid-vapor interface as a volumetric zone across which physical properties vary continuously instead of a discontinuous surface. The second gradient theory allows to establish the evolution equations of the fluid in the whole system: bulk phases and interfaces. That means that the resolution of a unique system of partial differential equations is necessary to determine the whole two-phase flow, the interfaces and their evolution in time being a part of the solution of this unique system. We show in this work that it is possible to artificially enlarge an interface without changing its surface tension and the latent heat of vaporization. That means than it is possible to track all the interfaces of a liquid-vapor two-phase flow with phase-change on a mesh the size of which is imposed by the smallest Kolmogorov scale of the bulk phases for example. The artificial enlargement of an interfacial zone is obtained by modifying the thermodynamic behavior of the fluid within the binodal. We show that this modification does not change the dynamics of an interface. However, although the thickness of an interface and its surface tension vary with the mass and heat fluxes that go though it, the thermodynamic modification necessary to the artificial enlargement of an interface drastically increases these variations. Consequently, the artificial enlargement of an interface must be made carefully to avoid a too much important variation of its surface tension during dynamic situations. (author) 60 refs.

Observation of paramorphic phenomenon and non-tilted orthogonal smectic phases in hydrogen bonded ferroelectric liquid crystals for photonic applications

Science.gov (United States)

Subhasri, P.; Venugopal, D.; Jayaprakasam, R.; Chitravel, T.; Vijayakumar, V. N.

2018-06-01

A new class of hydrogen bonded ferroelectric liquid crystals (HBFLC) have been designed and synthesized by intermolecular hydrogen bonds between mesogenic 4-decyloxybenzoic acid (10OBA) and non-mesogenic (R)-(+)-Methylsuccinic acid (MSA) which have been confirmed through experimental and theoretical studies. Further, Mulliken population analysis clearly reveals that the existence of hydrogen bonds, strength and dynamic properties. Textural observation and its corresponding enthalpy values are analyzed by polarizing optical microscope (POM) and differential scanning calorimetry (DSC) respectively. Paramorphic changes in Sm C* phase due to the change of refractive index, which clearly reveal that the complex could be used for filtering action in photonic devices. The transition from lone pair to π* with large stabilization energy evidently exposes the chiral phases in the present HBFLC complex. Intermolecular interaction is analyzed by using natural bond orbital (NBO) studies. The highest energy in the HOMO-LUMO shows the stable phase in the HBFLC complex. Molecular structure of the HBFLC complex possesses the monoclinic which has been evinced through x-ray analysis. The randomly oriented bunch of homogeneous molecules in Sm A* phase of the HBFLC complex is reported.

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

International Nuclear Information System (INIS)

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

2003-01-01

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

Tank vapor sampling and analysis data package for tank 241-C-106 waste retrieval sluicing system process test phase III, sampled March 28, 1999

International Nuclear Information System (INIS)

LOCKREM, L.L.

1999-01-01

This data package presents sampling data and analytical results from the March 28, 1999, vapor sampling of Hanford Site single-shell tank 241-C-106 during active sluicing. Samples were obtained from the 296-C-006 ventilation system stack and ambient air at several locations. Characterization Project Operations (CPO) was responsible for the collection of all SUMMATM canister samples. The Special Analytical Support (SAS) vapor team was responsible for the collection of all triple sorbent trap (TST), sorbent tube train (STT), polyurethane foam (PUF), and particulate filter samples collected at the 296-C-006 stack. The SAS vapor team used the non-electrical vapor sampling (NEVS) system to collect samples of the air, gases, and vapors from the 296-C-006 stack. The SAS vapor team collected and analyzed these samples for Lockheed Martin Hanford Corporation (LMHC) and Tank Waste Remediation System (TWRS) in accordance with the sampling and analytical requirements specified in the Waste Retrieval Sluicing System Vapor Sampling and Analysis Plan (SAP) for Evaluation of Organic Emissions, Process Test Phase III, HNF-4212, Rev. 0-A, (LMHC, 1999). All samples were stored in a secured Radioactive Materials Area (RMA) until the samples were radiologically released and received by SAS for analysis. The Waste Sampling and Characterization Facility (WSCF) performed the radiological analyses. The samples were received on April 5, 1999

Mw Spectroscopy Coupled with Ultrafast UV Laser Vaporization: {RIBOSE} Found in the Gas Phase

Science.gov (United States)

Cocinero, Emilio J.; Ecija, Patricia; Basterretxea, Francisco J.; Fernandez, Jose A.; Castano, Fernando; Lesarri, Alberto; Grabow, Jens-Uwe

2012-06-01

Sugars are aldoses or ketoses with multiple hydroxy groups which have been elusive to spectroscopic studies. Here we report a rotational study of the aldopentose ribose. According to any standard textbook aldopentoses can exhibit either linear forms, cyclic five-membered (furanose) structures or six-membered (pyranose) rings, occurring either as α- or β- anomers depending on the orientation of the hydroxy group at C-1 (anomeric carbon). β-Furanose is predominant in ribonucleosides, RNA, ATP and other biochemically relevant derivatives, but is β-furanose the native form also of free ribose? Recent condensed-phase X-ray and older NMR studies delivered conflicting results. In order to solve this question we conducted a microwave study on D-ribose that, owing to ultrafast UV laser vaporization, has become the first C-5 sugar observed with rotational resolution. The spectrum revealed six conformations of free ribose, preferentially adopting β-pyranose chairs as well as higher-energy α-pyranose forms. The method also allowed for unambiguous distinction between different orientations of the hydroxy groups, which stabilize the structures by cooperative hydrogen-bond networks. No evidence was observed of the α-/β-furanoses or linear forms found in the biochemical derivatives. i) D. Šišak, L. B. McCusker, G. Zandomeneghi, B. H. Meier, D. Bläser, R. Boese, W. B. Schweizer, R. Gylmour and J. D. Dunitz Angew. Chem. Int. Ed. 49, 4503, 2010. ii) W. Saenger Angew. Chem. Int. Ed. 49, 6487, 2010. i) M. Rudrum, and D. F. Shaw, J. Chem. Soc. 52, 1965. ii) R. U. Lemieux and J. D. Stevens Can. J. Chem. 44, 249, 1966. iii) E. Breitmaier and U. Hollstein Org. Magn. Reson. 8, 573, 1976. E. J. Cocinero, A. Lesarri, P. Écija, F. J. Basterretxea, J. U. Grabow, J. A. Fernández and F. Castaño Angew. Chem. Int. Ed. in press: DOI: 10.1002/anie.201107973, 2012.

Vapor hydration and subsequent leaching of transuranic-containing SRL and WV glasses

International Nuclear Information System (INIS)

Bates, J.K.; Ebert, W.L.; Gerding, T.J.

1989-09-01

Prior to contact by liquid water and subsequent leaching, high-level nuclear waste glass subject to disposal in the unsaturated environment at Yucca Mountain, Nevada, will be altered through contact with humid air. Conditions could range from temperatures as high as 200 degree C to ambient repository temperature after cooling and relative humidities up to 100% depending on the air flow and heat transport dynamics of the waste package and near field environments. However, under any potential set of temperature/humidity conditions, the glass will undergo alteration via well-established vapor phase hydration processes. In the present paper, the results of a set of parametric experiments are described, whereby vapor phase hydrated glasses were subjected to leaching under static conditions. The purpose of the experiments was to (1) compare the leaching of vapor phase altered glass to that of fresh glass, (2) to develop techniques for determining the radionuclide content of secondary phases that formed during the hydration reaction, and (3) to provide a basis for performing long-term saturated and unsaturated testing of vapor hydrated glass. 3 refs., 2 figs., 2 tabs

Lignin solubilization and aqueous phase reforming for the production of aromatic chemicals and hydrogen

NARCIS (Netherlands)

Zakzeski, J.|info:eu-repo/dai/nl/326160256; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

2011-01-01

The solubilization and aqueous phase reforming of lignin, including kraft, soda, and alcell lignin along with sugarcane bagasse, at low temperatures (T≤498 K) and pressures (P≤29 bar) is reported for the first time for the production of aromatic chemicals and hydrogen. Analysis of lignin model

Treatment of Produced Waters Using a Surfactant Modified Zeolite/Vapor Phase Bioreactor System

Energy Technology Data Exchange (ETDEWEB)

Lynn E. Katz; Kerry A. Kinney; R. S. Bowman; E. J. Sullivan

2004-03-11

This report summarizes work of this project from October 2003 through March 2004. The major focus of the research was to further investigate BTEX removal from produced water, to quantify metal ion removal from produced water, and to evaluate a lab-scale vapor phase bioreactor (VPB) for BTEX destruction in off-gases produced during SMZ regeneration. Batch equilibrium sorption studies were conducted to evaluate the effect of semi-volatile organic compounds commonly found in produced water on the sorption of benzene, toluene, ethylbenzene, and xylene (BTEX) onto surfactant-modified zeolite (SMZ) and to examine selected metal ion sorption onto SMZ. The sorption of polar semi-volatile organic compounds and metals commonly found in produced water onto SMZ was also investigated. Batch experiments were performed in a synthetic saline solution that mimicked water from a produced water collection facility in Wyoming. Results indicated that increasing concentrations of semi-volatile organic compounds increased BTEX sorption. The sorption of phenol compounds could be described by linear isotherms, but the linear partitioning coefficients decreased with increasing pH, especially above the pKa's of the compounds. Linear correlations relating partitioning coefficients of phenol compounds with their respective solubilities and octanol-water partitioning coefficients were developed for data collected at pH 7.2. The sorption of chromate, selenate, and barium in synthetic produced water were also described by Langmuir isotherms. Experiments conducted with a lab-scale vapor phase bioreactor (VPB) packed with foam indicated that this system could achieve high BTEX removal efficiencies once the nutrient delivery system was optimized. The xylene isomers and benzene were found to require the greatest biofilter bed depth for removal. This result suggested that these VOCs would ultimately control the size of the biofilter required for the produced water application. The biofilter

Dynamics of trivalent rare earth molecular vapor lasers

International Nuclear Information System (INIS)

Krupke, W.F.

1976-01-01

Radiative transition probabilities in neodymium bearing vapors are reviewed and calculations are extended to visible laser transitions in terbium bearing vapor. Nonradiative relaxation processes in the pure and complexed halides are treated in greater detail. While precise, quantitative relaxation probabilities cannot be calculated on the basis of information presently available, plausibility arguments can be established which indicate the order of magnitude of relevant nonradiative decay probabilities. Reference to solid and liquid state nonradiative relaxation data for rare earth ions is reviewed to support the plausibility arguments for the vapor state. Having established the likelihood of high fluorescence yields in the vapor phase, various methods of laser pumping are discussed: optical pumping via parity allowed 4f-5d transitions; optical pumping via charge transfer bands of the vapor complex; and direct electron beam pumping

Optical Sensors for Hydrogen and Oxygen for Unambiguous Detection in Their Mutual Presence, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — The objective of the Phase I SBIR project is to develop sensors that can discriminate the presence of combustible gases like oxygen (O2) in hydrogen (H2) or H2 in O2...

Tank 241-C-111 headspace gas and vapor sample results - August 1993 samples

International Nuclear Information System (INIS)

Huckaby, J.L.

1994-01-01

Tank 241-C-111 is on the ferrocyanide Watch List. Gas and vapor samples were collected to assure safe conditions before planned intrusive work was performed. Sample analyses showed that hydrogen is about ten times higher in the tank headspace than in ambient air. Nitrous oxide is about sixty times higher than ambient levels. The hydrogen cyanide concentration was below 0.04 ppbv, and the average NO x concentration was 8.6 ppmv

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-09-18

Phase 1 to Phase 2 review in favor of studying the slurry-form of AB as it appeared to be difficult to transport a solid form of AB through the thermolysis reactor. UTRC demonstrated the operation of a compact GLS in the laboratory at a scale that would be required for the actual automotive application. The GLS met the targets for weight and volume. UTRC also reported about the unresolved issue associated with the high vapor pressure of fluids that could be used for making a slurry-form of AB. Work on the GLS was halted after the Phase 2 to Phase 3 review as the off-board regeneration efficiency of the spent AB was below the DOE target of 60%. UTRC contributed to the design of an adsorbent-based hydrogen storage system through measurements of the thermal conductivity of a compacted form of Metal Organic Framework (MOF) number 5 and through the development and sizing of a particulate filter. Thermal conductivity is important for the design of the modular adsorbent tank insert (MATI), as developed by Oregon State University (OSU), in order to enable a rapid refueling process. Stringent hydrogen quality requirements can only be met with an efficient particulate filtration system. UTRC developed a method to size the particulate filter by taking into account the effect of the pressure drop on the hydrogen adsorption process in the tank. UTRC raised awareness about the potential use of materials-based H2 storage systems in applications outside the traditional light-duty vehicle market segment by presenting at several conferences about niche application opportunities in Unmanned Aerial Vehicles (UAV), Autonomous Underwater Vehicles (AUV), portable power and others.

Destructive hydrogenation of carbonaceous material, etc

Energy Technology Data Exchange (ETDEWEB)

1938-07-30

A process is described for the destructive hydrogenation of solid distillable carbonaceous material, consisting of mixing the raw material in a paste by means of a mixture practically free from asphalt, from an oil obtained initially from the products coming out of the reaction space as vapor, particularly heavy oil, and oils obtained by pushing just to the state of pitch or coke the distillation of all the products which come out of the reaction space in any state but the vapor and which restrain some of the raw material intact and part of the products.

Vaporization of a mixed precursors in chemical vapor deposition for YBCO films

Science.gov (United States)

Zhou, Gang; Meng, Guangyao; Schneider, Roger L.; Sarma, Bimal K.; Levy, Moises

1995-01-01

Single phase YBa2Cu3O7-delta thin films with T(c) values around 90 K are readily obtained by using a single source chemical vapor deposition technique with a normal precursor mass transport. The quality of the films is controlled by adjusting the carrier gas flow rate and the precursor feed rate.

Measurement of dissolved hydrogen and hydrogen gas transfer in a hydrogen-producing reactor

Energy Technology Data Exchange (ETDEWEB)

Shizas, I.; Bagley, D.M. [Toronto Univ., ON (Canada). Dept. of Civil Engineering

2004-07-01

This paper presents a simple method to measure dissolved hydrogen concentrations in the laboratory using standard equipment and a series of hydrogen gas transfer tests. The method was validated by measuring hydrogen gas transfer parameters for an anaerobic reactor system that was purged with 10 per cent carbon dioxide and 90 per cent nitrogen using a coarse bubble diffuser stone. Liquid samples from the reactor were injected into vials and hydrogen was allowed to partition between the liquid and gaseous phases. The concentration of dissolved hydrogen was determined by comparing the headspace injections onto a gas chromatograph and a standard curve. The detection limit was 1.0 x 10{sup -5} mol/L of dissolved hydrogen. The gas transfer rate for hydrogen in basal medium and anaerobic digester sludge was used to validate the method. Results were compared with gas transfer models. In addition to monitoring dissolved hydrogen in reactor systems, this method can help improve hydrogen production potential. 1 ref., 4 figs.

Hydrogen-Based Energy Conservation System, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — NASA and many others often rely on delivery of cryogenic hydrogen to meet their facility needs. NASA's Stennis Space Center is one of the largest users of hydrogen,...

Thin film solar cells grown by organic vapor phase deposition

Science.gov (United States)

Yang, Fan

Organic solar cells have the potential to provide low-cost photovoltaic devices as a clean and renewable energy resource. In this thesis, we focus on understanding the energy conversion process in organic solar cells, and improving the power conversion efficiencies via controlled growth of organic nanostructures. First, we explain the unique optical and electrical properties of organic materials used for photovoltaics, and the excitonic energy conversion process in donor-acceptor heterojunction solar cells that place several limiting factors of their power conversion efficiency. Then, strategies for improving exciton diffusion and carrier collection are analyzed using dynamical Monte Carlo models for several nanostructure morphologies. Organic vapor phase deposition is used for controlling materials crystallization and film morphology. We improve the exciton diffusion efficiency while maintaining good carrier conduction in a bulk heterojunction solar cell. Further efficiency improvement is obtained in a novel nanocrystalline network structure with a thick absorbing layer, leading to the demonstration of an organic solar cell with 4.6% efficiency. In addition, solar cells using simultaneously active heterojunctions with broad spectral response are presented. We also analyze the efficiency limits of single and multiple junction organic solar cells, and discuss the challenges facing their practical implementations.

Determination of vapor pressures, enthalpies of sublimation, and enthalpies of fusion of benzenetriols

International Nuclear Information System (INIS)

Verevkin, Sergey P.; Schick, Christoph

2004-01-01

Molar enthalpies of sublimation of 1,2,4-, 1,2,3-, and 1,3,5-tri-hydroxy-benzene, were obtained from the temperature dependence of the vapor pressure measured by the transpiration method. The molar enthalpies of fusion and molar heat capacities of these compounds were measured by DSC. The measured data sets of vaporization, sublimation and fusion enthalpies were checked for internal consistency. Strength of the inter- and intra-molecular hydrogen bonding in di- and tri-hydroxy-benzenes have been assessed

Deuterium isotope separation factor between hydrogen and liquid water

International Nuclear Information System (INIS)

Rolston, J.H.; den Hartog, J.; Butler, J.P.

1976-01-01

The overall deuterium isotope separation factor between hydrogen and liquid water, α, has been measured directly for the first time between 280 and 370 0 K. The data are in good agreement with values of α calculated from literature data on the equilibrium constant for isotopic exchange between hydrogen and water vapor, K 1 , and the liquid-vapor separation factor, α/sub V/. The temperature dependence of α over the range 273-473 0 K based upon these new experimental results and existing literature data is given by the equation ln α = -0.2143 + (368.9/T) + (27,870/T 2 ). Measurements on α/sub V/ given in the literature have been surveyed and the results are summarized over the same temperature range by the equation ln α/sub V/ = 0.0592 - (80.3/T) +

Growth of GaN layers using Ga2O vapor obtained from Ga and H2O vapor

International Nuclear Information System (INIS)

Sumi, Tomoaki; Taniyama, Yuuki; Takatsu, Hiroaki; Juta, Masami; Kitamoto, Akira; Imade, Mamoru; Yoshimura, Masashi; Mori, Yusuke; Isemura, Masashi

2015-01-01

In this study, we performed growth of GaN layers using Ga 2 O vapor synthesized from Ga and H 2 O vapor. In this process, we employed H 2 O vapor instead of HCl gas in hydride vapor phase epitaxy (HVPE) to synthesize Ga source gas. In the synthesis reaction of Ga 2 O, a Ga 2 O 3 whisker formed and covered Ga, which impeded the synthesis reaction of Ga 2 O. The formation of the Ga 2 O 3 whisker was suppressed in H 2 ambient at high temperatures. Then, we adopted this process to supply a group III precursor and obtained an epitaxial layer. X-ray diffraction (XRD) measurement revealed that the epitaxial layer was single-crystalline GaN. Growth rate increased linearly with Ga 2 O partial pressure and reached 104 µm/h. (author)

Diffusion of Hydrogen in the beta-Phase of Pd-H Studied by Small Energy Transfer Neutron Scattering

Energy Technology Data Exchange (ETDEWEB)

Nelin, G; Skoeld, K

1974-07-01

The diffusion of hydrogen in beta-PdH has been studied by quasielastic neutron scattering. It is shown that the diffusion occurs through jumps between adjacent octahedral interstitial sites. The observed integrated quasielastic intensities cannot be described by a simple Debye-Waller factor. The phase transition from the beta-phase to the alpha-phase has also been studied. No dramatic changes in the scattering patterns were observed. It is concluded that the diffusion mechanism is remarkably similar between the low concentration alpha-phase and the high concentration beta-phase

Mass spectrometric study of vaporization of (U,Pu)O2 fuel simulating high burnup

International Nuclear Information System (INIS)

Maeda, Atsushi; Ohmichi, Toshihiko; Fukushima, Susumu; Handa, Muneo

1985-08-01

The vaporization behavior of (U,Pu)O 2 fuel simulatig high burnup was studied in the temperature range of 1,573 -- 2,173 K by high temperature mass spectrometry. The phases in the simulated fuel were examined by X-ray microprobe analysis. The relationship between chemical form and vaporization behavior of simulated fission product elements was discussed. Pd, Sr, Ba, Ce and actinide-bearing vapor species were observed, and it was clarified that Pd vapor originated from metallic inclusion and Sr and Ce vapors, from mixed oxide fuel matrix. The vaporization behavior of the actinide elements was somewhat similar to that of hypostoichiometric mixed oxide fuel. The behavior of Ba-bearing vapor species changed markedly over about 2,000 K. From the determination of BaO vapor pressures over simulated fuel and BaZrO 3 , it was revealed thermodynamically that the transformation of the chemical form of Ba about 2,000 K, i.e., dissolution of BaZrO 3 phase into fuel matrix, might be the reason of the observed vapor pressure change. (author)

Structure and hydrogen storage properties of the hexagonal Laves phase Sc(Al{sub 1-x}Ni{sub x}){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Sahlberg, Martin, E-mail: Martin.sahlberg@kemi.uu.se [Department of Chemistry, The Angstroem Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden); Angstroem, Jonas, E-mail: jonas.angstrom@kemi.uu.se [Department of Chemistry, The Angstroem Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden); Zlotea, Claudia, E-mail: claudia.zlotea@icmpe.cnrs.fr [Chimie Metallurgique des Terres Rares, Institut de Chimie et des Materiaux de Paris Est, UMR 7182, CNRS, 2-8 rue Henri Dunant, 94320 Thiais Cedex (France); Beran, Premysl, E-mail: pberan@ujf.cas.cz [Nuclear Physics Institute, Academy of Sciences of the Czech Republic, 25068 Rez (Czech Republic); Latroche, Michel, E-mail: michel.latroche@glvt-cnrs.fr [Chimie Metallurgique des Terres Rares, Institut de Chimie et des Materiaux de Paris Est, UMR 7182, CNRS, 2-8 rue Henri Dunant, 94320 Thiais Cedex (France); Pay Gomez, Cesar, E-mail: Cesar.paygomez@kemi.uu.se [Department of Chemistry, The Angstroem Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden)

2012-12-15

The crystal structures of hydrogenated and unhydrogenated Sc(Al{sub 1-x}Ni{sub x}){sub 2} Laves phases have been studied by combining several diffraction techniques and it is shown that hydrogen is situated interstitially in the A{sub 2}B{sub 2}-sites, which have the maximum number of scandium neighbours. The hydrogen absorption/desorption behaviour has also been investigated. It is shown that a solid solution of hydrogen forms in the mother compound. The hydrogen storage capacity exceeds 1.7 H/f.u. at 374 K, and the activation energy of hydrogen desorption was determined to 4.6 kJ/mol H{sub 2}. It is shown that these compounds share the same local coordination as Frank-Kasper-type approximants and quasicrystals, which opens up the possibility of finding many new hydride phases with these types of crystal structures. - Graphical abstract: The structure of ScNiAlDx, Sc atoms are shown in purple and Ni/Al atoms in blue and the iso-surfaces of deuterium in yellow. Revealed from refinements of neutron powder diffraction data. Highlights: Black-Right-Pointing-Pointer The crystal structure of ScNiAl and ScNiAlDx is reported. Black-Right-Pointing-Pointer We show the hydrogen storage properties of Sc(Al{sub 1-x}Ni{sub x}){sub 2}. Black-Right-Pointing-Pointer We discuss the possibility to store hydrogen in quasicrystals.

Self-optimization of the active site of molybdenum disulfide by an irreversible phase transition during photocatalytic hydrogen evolution

Energy Technology Data Exchange (ETDEWEB)

Wang, Longlu; Duan, Xidong; Liu, Chengbin; Zhang, Shuqu; Zeng, Yunxiong [State Key Laboratory of Chemo/Biosensing and Chemometrics, Hunan University, Changsha (China); Liu, Xia; Pei, Yong [Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education, Xiangtan University (China); Luo, Jinming; Crittenden, John [Brook Byers Institute for Sustainable Systems and School of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, GA (United States); Duan, Xiangfeng [Department of Chemistry and Biochemistry, University of California, Los Angeles, CA (United States)

2017-06-19

The metallic 1T-MoS{sub 2} has attracted considerable attention as an effective catalyst for hydrogen evolution reactions (HERs). However, the fundamental mechanism about the catalytic activity of 1T-MoS{sub 2} and the associated phase evolution remain elusive and controversial. Herein, we prepared the most stable 1T-MoS{sub 2} by hydrothermal exfoliation of MoS{sub 2} nanosheets vertically rooted into rigid one-dimensional TiO{sub 2} nanofibers. The 1T-MoS{sub 2} can keep highly stable over one year, presenting an ideal model system for investigating the HER catalytic activities as a function of the phase evolution. Both experimental studies and theoretical calculations suggest that 1T phase can be irreversibly transformed into a more active 1T' phase as true active sites in photocatalytic HERs, resulting in a ''catalytic site self-optimization''. Hydrogen atom adsorption is the major driving force for this phase transition. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Experimental Investigation of Jet-Induced Mixing of a Large Liquid Hydrogen Storage Tank

Science.gov (United States)

Lin, C. S.; Hasan, M. M.; Vandresar, N. T.

1994-01-01

Experiments have been conducted to investigate the effect of fluid mixing on the depressurization of a large liquid hydrogen storage tank. The test tank is approximately ellipsoidal, having a volume of 4.89 m(exp 3) and an average wall heat flux of 4.2 W/m(exp 2) due to external heat input. A mixer unit was installed near the bottom of the tank to generate an upward directed axial jet flow normal to the liquid-vapor interface. Mixing tests were initiated after achieving thermally stratified conditions in the tank either by the introduction of hydrogen gas into the tank or by self-pressurization due to ambient heat leak through the tank wall. The subcooled liquid jet directed towards the liquid-vapor interface by the mixer induced vapor condensation and caused a reduction in tank pressure. Tests were conducted at two jet submergence depths for jet Reynolds numbers from 80,000 to 495,000 and Richardson numbers from 0.014 to 0.52. Results show that the rate of tank pressure change is controlled by the competing effects of subcooled jet flow and the free convection boundary layer flow due to external tank wall heating. It is shown that existing correlations for mixing time and vapor condensation rate based on small scale tanks may not be applicable to large scale liquid hydrogen systems.

Induced Smectic X Phase Through Intermolecular Hydrogen-Bonded Liquid Crystals Formed Between Citric Acid and p- n-(Octyloxy)Benzoic Acid

Science.gov (United States)

Sundaram, S.; Subhasri, P.; Rajasekaran, T. R.; Jayaprakasam, R.; Senthil, T. S.; Vijayakumar, V. N.

2017-08-01

Hydrogen-bonded liquid crystal (HBLC) is synthesized from citric acid (CA) and 4-(octyloxy)benzoic acid (8OBA) with different mole ratios. Fourier transform infrared spectroscopy (FT-IR) confirms the presence of hydrogen bond between CA and 8OBA. Nuclear magnetic resonance (NMR) spectroscopic studies validate the intermolecular complementary, cyclic type of hydrogen bond, and molecular environment in the designed HBLC complex. Powder X-ray diffraction analysis reveals the monoclinic nature of liquid crystal complex in solid phase. Liquid crystal parameters such as phase transition temperature and enthalpy values for the corresponding mesogenic phases are investigated using a polarizing optical microscope (POM) and differential scanning calorimetry (DSC). It is observed that the change in chain length and steric hindrance while increasing the mole ratio in HBLC complex induces a new smectic X (Sm X) along with higher-order smectic G (Sm G) phases by quenching of smectic C (Sm C). From the experimental observations, induced Sm X phase has been identified as a finger print texture. Also, Sm G is a multi-colored mosaic texture in 1:1, 1:2, and 1:3 mol ratios. The optical tilt angle, thermal stability factor, and enhanced thermal span width of CA + 8OBA complex are discussed.

Molecular dynamics study of kinetic boundary condition at an interface between a polyatomic vapor and its condensed phase