WorldWideScience

Sample records for vapor phase hydrogenation

  1. The Validation of Vapor Phase Hydrogen Peroxide Microbial Reduction for Planetary Protection and a Proposed Vacuum Process Specification

    Science.gov (United States)

    Chung, Shirley; Barengoltz, Jack; Kern, Roger; Koukol, Robert; Cash, Howard

    2006-01-01

    The Jet Propulsion Laboratory, in conjunction with the NASA Planetary Protection Officer, has selected the vapor phase hydrogen peroxide sterilization process for continued development as a NASA approved sterilization technique for spacecraft subsystems and systems. The goal is to include this technique, with an appropriate specification, in NPR 8020.12C as a low temperature complementary technique to the dry heat sterilization process.To meet microbial reduction requirements for all Mars in-situ life detection and sample return missions, various planetary spacecraft subsystems will have to be exposed to a qualified sterilization process. This process could be the elevated temperature dry heat sterilization process (115 C for 40 hours) which was used to sterilize the Viking lander spacecraft. However, with utilization of such elements as highly sophisticated electronics and sensors in modern spacecraft, this process presents significant materials challenges and is thus an undesirable bioburden reduction method to design engineers. The objective of this work is to introduce vapor hydrogen peroxide (VHP) as an alternative to dry heat microbial reduction to meet planetary protection requirements.The VHP process is widely used by the medical industry to sterilize surgical instruments and biomedical devices, but high doses of VHP may degrade the performance of flight hardware, or compromise material properties. Our goal for this study was to determine the minimum VHP process conditions to achieve microbial reduction levels acceptable for planetary protection.

  2. 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

  3. Vapor Compressor Driven Hybrid Two-Phase Loop, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This Small Business Innovation Research Phase I project will demonstrate a vapor compressor driven hybrid two-phase loop technology. The hybrid two-phase loop...

  4. Vaporized Hydrogen Peroxide (VHP) Decontamination of VX, GD, and HD

    National Research Council Canada - National Science Library

    Wagner, George W; Sorrick, David C; Procell, Lawrence R; Hess, Zoe A; Brickhouse, Mark D; McVey, Iain F; Schwartz, Lewis I

    2003-01-01

    Vaporized Hydrogen Peroxide (VHP) has been utilized for more than a decade to sterilize clean rooms and pharmaceutical processing equipment and, quite recently, to decontaminate anthrax-ridden buildings...

  5. 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...

  6. Laser vapor phase deposition of semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Karlov, N.V.; Luk' ianchuk, B.S.; Sisakian, E.V.; Shafeev, G.A.

    1987-06-01

    The pyrolytic effect of IR laser radiation is investigated with reference to the initiation and control of the vapor phase deposition of semiconductor films. By selecting the gas mixture composition and laser emission parameters, it is possible to control the deposition and crystal formation processes on the surface of semiconductors, with the main control action achieved due to the nonadiabatic kinetics of reactions in the gas phase and high temperatures in the laser heating zone. This control mechanism is demonstrated experimentally during the laser vapor deposition of germanium and silicon films from tetrachlorides on single-crystal Si and Ge substrates. 5 references.

  7. Hydrogenation of furfural at the dynamic Cu surface of CuOCeO2/Al2O3 in vapor phase packed bed reactor

    Science.gov (United States)

    The hydrogenation of furfural to furfuryl alcohol over a CuOCeO2/'-Al2O3 catalyst in a flow reactor is reported. The catalyst was prepared by the wet impregnation of Cu onto a CeO2/'-Al2O3 precursor. The calcined catalyst was then treated with HNO3 to remove surface CuO resulting in a mixed CuCe oxi...

  8. Exchange reaction between tritiated hydrogen and water vapor

    International Nuclear Information System (INIS)

    Yamada, Koichi; Takano, Kenichi; Watanabe, Tamaki.

    1979-01-01

    Exchange reaction of tritiated hydrogen to water vapor under the condition of tritium gas concentration between 1 μCi/l and 1 mCi/l was studied. Tritium gas with hydrogen gas of 5 Torr and water of 20 mg were enclosed in a Pyrex glass ampule with volume of about 100 ml. The mixed gas with water vapor was heated with electric furnace. The heating time was between 2 and 100 hr, and the temperature was 776, 725, 675, 621, and 570.5 0 K. After heating, tritiated water was trapped with liquid nitrogen, and counted with a liquid scintillation counter. The radioactive concentration of initial tritiated hydrogen was measured with a calibrated ionization chamber. The main results obtained are as follows; 1) the concentration of produced tritiated water is well proportioned to that of initial tritiated hydrogen, 2) the activation energy of exchange reaction from tritiated hydrogen to tritiated water is 26.2 kcal/mol and that of inverse reaction is 27.4 kcal/mol, 3) the reaction rate at room temperature which calculated with activation energy is 1.04 x 10 -13 day -1 , and then exchange reaction at room temperature is negligible. (author)

  9. Trace detection of hydrogen peroxide vapor using a carbon-nanotube-based chemical sensor.

    Science.gov (United States)

    Lu, Yijiang; Meyyappan, M; Li, Jing

    2011-06-20

    The sensitive detection of hydrogen peroxide in the vapor phase is achieved using a nanochemical sensor consisting of single-walled carbon nanotubes as the sensing material. The interdigitated electrode-based sensor is constructed using a simple and standard microfabrication approach. The test results indicate a sensing capability of 25 ppm and response and recovery times in seconds. The sensor array consisting of 32 sensor elements with variations in sensing materials is capable of discriminating hydrogen peroxide from water and methanol. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. 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.

  11. Catalytic activation of molecular hydrogen in alkyne hydrogenation reactions by lanthanide metal vapor reaction products

    International Nuclear Information System (INIS)

    Evans, W.J.; Bloom, I.; Engerer, S.C.

    1983-01-01

    A rotary metal vapor was used in the synthesis of Lu, Er, Nd, Sm, Yb, and La alkyne, diene, and phosphine complexes. A typical catalytic hydrogenation experiment is described. The lanthanide metal vapor product is dissolved in tetrahydrofuran or toluene and placed in a pressure reaction vessel 3-hexyne (or another substrate) is added, the chamber attached to a high vacuum line, cooled to -196 0 C, evacuated, warmed to ambient temperature and hydrogen is added. The solution is stirred magnetically while the pressure in monitored. The reaction products were analyzed by gas chromatography. Rates and products of various systems are listed. This preliminary survey indicates that catalytic reaction chemistry is available to these metals in a wide range of coordination environments. Attempts to characterize these compounds are hampered by their paramagnetic nature and their tendency to polymerize

  12. Communication: Dynamical and structural analyses of solid hydrogen under vapor pressure

    Energy Technology Data Exchange (ETDEWEB)

    Hyeon-Deuk, Kim, E-mail: kim@kuchem.kyoto-u.ac.jp [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan); Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Ando, Koji [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan)

    2015-11-07

    Nuclear quantum effects play a dominant role in determining the phase diagram of H{sub 2}. With a recently developed quantum molecular dynamics simulation method, we examine dynamical and structural characters of solid H{sub 2} under vapor pressure, demonstrating the difference from liquid and high-pressure solid H{sub 2}. While stable hexagonal close-packed lattice structures are reproduced with reasonable lattice phonon frequencies, the most stable adjacent configuration exhibits a zigzag structure, in contrast with the T-shape liquid configuration. The periodic angular distributions of H{sub 2} molecules indicate that molecules are not a completely free rotor in the vapor-pressure solid reflecting asymmetric potentials from surrounding molecules on adjacent lattice sites. Discrete jumps of librational and H–H vibrational frequencies as well as H–H bond length caused by structural rearrangements under vapor pressure effectively discriminate the liquid and solid phases. The obtained dynamical and structural information of the vapor-pressure H{sub 2} solid will be useful in monitoring thermodynamic states of condensed hydrogens.

  13. 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...

  14. The liquid to vapor phase transition in excited nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Elliott, J.B.; Moretto, L.G.; Phair, L.; Wozniak, G.J.; Beaulieu, L.; Breuer, H.; Korteling, R.G.; Kwiatkowski, K.; Lefort, T.; Pienkowski, L.; Ruangma, A.; Viola, V.E.; Yennello, S.J.

    2001-05-08

    For many years it has been speculated that excited nuclei would undergo a liquid to vapor phase transition. For even longer, it has been known that clusterization in a vapor carries direct information on the liquid-vapor equilibrium according to Fisher's droplet model. Now the thermal component of the 8 GeV/c pion + 197 Au multifragmentation data of the ISiS Collaboration is shown to follow the scaling predicted by Fisher's model, thus providing the strongest evidence yet of the liquid to vapor phase transition.

  15. 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.

  16. 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

  17. 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...

  18. 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.

  19. Shock wave of vapor-liquid two-phase flow

    Institute of Scientific and Technical Information of China (English)

    Liangju ZHAO; Fei WANG; Hong GAO; Jingwen TANG; Yuexiang YUAN

    2008-01-01

    The shock wave of vapor-liquid two-phase flow in a pressure-gain steam injector is studied by build-ing a mathematic model and making calculations. The results show that after the shock, the vapor is nearly com-pletely condensed. The upstream Mach number and the volume ratio of vapor have a great effect on the shock. The pressure and Mach number of two-phase shock con-form to the shock of ideal gas. The analysis of available energy shows that the shock is an irreversible process with entropy increase.

  20. 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.

  1. 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

  2. Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

    International Nuclear Information System (INIS)

    Rosenow, Phil; Tonner, Ralf

    2016-01-01

    The extent of hydrogen coverage of the Si(001) c(4 × 2) surface in the presence of hydrogen gas has been studied with dispersion corrected density functional theory. Electronic energy contributions are well described using a hybrid functional. The temperature dependence of the coverage in thermodynamic equilibrium was studied computing the phonon spectrum in a supercell approach. As an approximation to these demanding computations, an interpolated phonon approach was found to give comparable accuracy. The simpler ab initio thermodynamic approach is not accurate enough for the system studied, even if corrections by the Einstein model for surface vibrations are considered. The on-set of H 2 desorption from the fully hydrogenated surface is predicted to occur at temperatures around 750 K. Strong changes in hydrogen coverage are found between 1000 and 1200 K in good agreement with previous reflectance anisotropy spectroscopy experiments. These findings allow a rational choice for the surface state in the computational treatment of chemical reactions under typical metal organic vapor phase epitaxy conditions on Si(001).

  3. Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

    Energy Technology Data Exchange (ETDEWEB)

    Rosenow, Phil; Tonner, Ralf, E-mail: tonner@chemie.uni-marburg.de [Fachbereich Chemie and Wissenschaftliches Zentrum für Materialwissenschaften, Philipps-Universität Marburg, Hans-Meerwein-Straße, Marburg 35032 (Germany)

    2016-05-28

    The extent of hydrogen coverage of the Si(001) c(4 × 2) surface in the presence of hydrogen gas has been studied with dispersion corrected density functional theory. Electronic energy contributions are well described using a hybrid functional. The temperature dependence of the coverage in thermodynamic equilibrium was studied computing the phonon spectrum in a supercell approach. As an approximation to these demanding computations, an interpolated phonon approach was found to give comparable accuracy. The simpler ab initio thermodynamic approach is not accurate enough for the system studied, even if corrections by the Einstein model for surface vibrations are considered. The on-set of H{sub 2} desorption from the fully hydrogenated surface is predicted to occur at temperatures around 750 K. Strong changes in hydrogen coverage are found between 1000 and 1200 K in good agreement with previous reflectance anisotropy spectroscopy experiments. These findings allow a rational choice for the surface state in the computational treatment of chemical reactions under typical metal organic vapor phase epitaxy conditions on Si(001).

  4. Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

    Science.gov (United States)

    Rosenow, Phil; Tonner, Ralf

    2016-05-01

    The extent of hydrogen coverage of the Si(001) c(4 × 2) surface in the presence of hydrogen gas has been studied with dispersion corrected density functional theory. Electronic energy contributions are well described using a hybrid functional. The temperature dependence of the coverage in thermodynamic equilibrium was studied computing the phonon spectrum in a supercell approach. As an approximation to these demanding computations, an interpolated phonon approach was found to give comparable accuracy. The simpler ab initio thermodynamic approach is not accurate enough for the system studied, even if corrections by the Einstein model for surface vibrations are considered. The on-set of H2 desorption from the fully hydrogenated surface is predicted to occur at temperatures around 750 K. Strong changes in hydrogen coverage are found between 1000 and 1200 K in good agreement with previous reflectance anisotropy spectroscopy experiments. These findings allow a rational choice for the surface state in the computational treatment of chemical reactions under typical metal organic vapor phase epitaxy conditions on Si(001).

  5. 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...

  6. Effectiveness of Vaporous Hydrogen Peroxide for the Decontamination of Representative Military Materials

    National Research Council Canada - National Science Library

    Dutt, D. L; Turetsky, A. L; Brickhouse, M; Pfarr, J. W; McVey, I. F; Meilander, S. L; Janick, A. J; Schulte, S. L; Dallmier, A. W

    2004-01-01

    .... While many chemical decontamination methods, including aqueous hydrogen peroxide, have been used or are under development for direct application, few vaporous methods are being evaluated for decontamination efficacy (McDonnell, G. et al., 2002...

  7. Removal of hydrogen sulfide as ammonium sulfate from hydropyrolysis product vapors

    Energy Technology Data Exchange (ETDEWEB)

    Marker, Terry L.; Felix, Larry G.; Linck, Martin B.; Roberts, Michael J.

    2017-03-14

    A system and method for processing biomass into hydrocarbon fuels that includes processing a biomass in a hydropyrolysis reactor resulting in hydrocarbon fuels and a process vapor stream and cooling the process vapor stream to a condensation temperature resulting in an aqueous stream. The aqueous stream is sent to a catalytic reactor where it is oxidized to obtain a product stream containing ammonia and ammonium sulfate. A resulting cooled product vapor stream includes non-condensable process vapors comprising H.sub.2, CH.sub.4, CO, CO.sub.2, ammonia and hydrogen sulfide.

  8. Removal of hydrogen sulfide as ammonium sulfate from hydropyrolysis product vapors

    Science.gov (United States)

    Marker, Terry L; Felix, Larry G; Linck, Martin B; Roberts, Michael J

    2014-10-14

    A system and method for processing biomass into hydrocarbon fuels that includes processing a biomass in a hydropyrolysis reactor resulting in hydrocarbon fuels and a process vapor stream and cooling the process vapor stream to a condensation temperature resulting in an aqueous stream. The aqueous stream is sent to a catalytic reactor where it is oxidized to obtain a product stream containing ammonia and ammonium sulfate. A resulting cooled product vapor stream includes non-condensable process vapors comprising H.sub.2, CH.sub.4, CO, CO.sub.2, ammonia and hydrogen sulfide.

  9. 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.

  10. 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 ...

  11. 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 ...

  12. 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...

  13. 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.

  14. Charge transfer between hydrogen(deuterium) ions and atoms in metal vapors

    International Nuclear Information System (INIS)

    Alvarez T, I.; Cisneros G, C.

    1981-01-01

    The current state of the experiments on charge transfer between hydrogen (deuterium) ions and atoms in metal vapors are given. Emphasis is given to describing different experimental techniques. The results of calculations if available, are compared with existing experimental data. (author)

  15. 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

  16. 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.

  17. 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

  18. 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)

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. Vapor-phase synthesis and characterization of ZnSe nanoparticles

    Science.gov (United States)

    Sarigiannis, D.; Pawlowski, R. P.; Peck, J. D.; Mountziaris, T. J.; Kioseoglou, G.; Petrou, A.

    2002-06-01

    Compound semiconductor nanoparticles are an exciting class of materials whose unique optical and electronic properties can be exploited in a variety of applications, including optoelectronics, photovoltaics, and biophotonics. The most common route for synthesizing such nanoparticles has been via liquid-phase chemistry in reverse micelles. This paper discusses a flexible vapor-phase technique for synthesis of crystalline compound semiconductor nanoparticles using gas-phase condensation reactions near the stagnation point of a counterflow jet reactor. ZnSe nanoparticles were formed by reacting vapors of dimethylzinc: triethylamine adduct and hydrogen selenide at 120Torr and room temperature (28°C). No attempt was made to passivate the surface of the particles, which were collected as random aggregates on silicon wafers or TEM grids placed downstream of the reaction zone. Particle characterization using TEM, electron diffraction, Raman and EDAX revealed that the aggregates consisted of polycrystalline ZnSe nanoparticles, almost monodisperse in size (with diameters of ~40nm). The polycrystalline nanoparticles appear to have been formed by coagulation of smaller single-crystalline nanoparticles with characteristic size of 3-5 run.

  4. Formation of an Ion-Pair Molecule with a Single NH+...Cl- Hydrogen Bond: Raman spectra of 1,1,3,3-Tetramethylguanidinium chloride in the solid state, in solution and in the vapor phase

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Riisager, Anders; Fehrmann, Rasmus

    2008-01-01

    Some ionic compounds (salts) form liquids when heated to temperatures in the range of 200-300 °C. They may be referred to as moderate temperature ionic liquids. An example of such a compound is the 1,1,3,3- tetramethylguanidinium chloride, [TMGH]Cl, melting at ∼212 °C. The chemistry of this compo......Some ionic compounds (salts) form liquids when heated to temperatures in the range of 200-300 °C. They may be referred to as moderate temperature ionic liquids. An example of such a compound is the 1,1,3,3- tetramethylguanidinium chloride, [TMGH]Cl, melting at ∼212 °C. The chemistry...... and the dimeric chloride ion-pair salt converged to give geometries near the established crystal structure of [TMGH]Cl. The structures and their binding energies are given as well as calculated vibrational harmonic normal modes (IR and Raman band wavenumbers and intensities). Experimentally obtained Raman...... scattering spectra are presented and assigned, by comparing to the quantum mechanical calculations. It is concluded that dimeric molecular ion pairs with four N-H+ · · · Cl- hydrogen bonds probably exist in the solutions and are responsible for the relatively high solubility of the “salt” in ethanol...

  5. 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

  6. 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.

  7. Comparisons between a gas-phase model of silane chemical vapor deposition and laser-diagnostic measurements

    International Nuclear Information System (INIS)

    Breiland, W.G.; Coltrin, M.E.; Ho, P.

    1986-01-01

    Theoretical modeling and experimental measurements have been used to study gas-phase chemistry in the chemical vapor deposition (CVD) of silicon from silane. Pulsed laser Raman spectroscopy was used to obtain temperature profiles and to obtain absolute density profiles of silane during deposition at atmospheric and 6-Torr total pressures for temperatures ranging from 500 to 800 0 C. Laser-excited fluorescence was used to obtain relative density profiles of Si 2 during deposition at 740 0 C in helium with 0-12 Torr added hydrogen. These measurements are compared to predictions from the theoretical model of Coltrin, Kee, and Miller. The predictions agree qualitatively with experiment. These studies indicate that fluid mechanics and gas-phase chemical kinetics are important considerations in understanding the chemical vapor deposition process

  8. 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.

  9. 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

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. 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

  15. 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.)

  16. 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...

  17. 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...

  18. 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.

  19. 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)

  20. 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

  1. 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.

  2. 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...

  3. 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…

  4. 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

  5. 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.

  6. 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

  7. 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.

  8. 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...

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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).

  19. 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

  20. 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)

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. Printing of small molecular medicines from the vapor phase.

    Science.gov (United States)

    Shalev, Olga; Raghavan, Shreya; Mazzara, J Maxwell; Senabulya, Nancy; Sinko, Patrick D; Fleck, Elyse; Rockwell, Christopher; Simopoulos, Nicholas; Jones, Christina M; Schwendeman, Anna; Mehta, Geeta; Clarke, Roy; Amidon, Gregory E; Shtein, Max

    2017-09-27

    There is growing need to develop efficient methods for early-stage drug discovery, continuous manufacturing of drug delivery vehicles, and ultra-precise dosing of high potency drugs. Here we demonstrate the use of solvent-free organic vapor jet printing to deposit nanostructured films of small molecular pharmaceutical ingredients, including caffeine, paracetamol, ibuprofen, tamoxifen, BAY 11-7082 and fluorescein, with accuracy on the scale of micrograms per square centimeter, onto glass, Tegaderm, Listerine tabs, and stainless steel microneedles. The printed films exhibit similar crystallographic order and chemistry as the original powders; controlled, order-of-magnitude enhancements of dissolution rate are observed relative to powder-form particles. In vitro treatment of breast and ovarian cancer cell cultures in aqueous media by tamoxifen and BAY 11-7082 films shows similar behavior to drugs pre-dissolved in dimethyl sulfoxide. The demonstrated precise printing of medicines as films, without the use of solvents, can accelerate drug screening and enable continuous manufacturing, while enhancing dosage accuracy.Traditional approaches used in the pharmaceutical industry are not precise or versatile enough for customized medicine formulation and manufacture. Here the authors produce a method to form coatings, with accurate dosages, as well as a means of closely controlling dissolution kinetics.

  9. 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.)

  10. 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.

  11. 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)

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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)

  20. 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.)

  1. 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.

  2. 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

  3. 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.

  4. 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.

  5. 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

  6. 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

  7. 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

  8. 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.

  9. 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.)

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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)

  16. 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...

  17. 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.

  18. 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.

  19. 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)

  20. 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

  1. 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.

  2. Evaporation of tungsten in vacuum at low hydrogen and water vapor pressures

    International Nuclear Information System (INIS)

    Andrievskij, R.A.; Galkin, E.A.; Khromonozhkin, V.V.

    1981-01-01

    The results of experimental investigations of tungsten evaporation rates in the temperature range 1650-2500 K, partial hydrogen and water vapours pressures 1x10 -5 -10 Pa are presented. Experi-- mental plant, equipment employed and radiometric technique of tungsten evaporation study are described. The dependences of evaporation rate and probabilities of tungsten oxidation by residual vacuum water vapours and dependences of tungsten evaporation rate on partial hydrogen and water vapours pressures are determined [ru

  3. 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)

  4. 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

  5. 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

  6. 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.

  7. 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

  8. 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

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. Structural, electrical and luminescent characteristics of ultraviolet light emitting structures grown by hydride vapor phase epitaxy

    Directory of Open Access Journals (Sweden)

    A.Y. Polyakov

    2017-03-01

    Full Text Available Electrical and luminescent properties of near-UV light emitting diode structures (LEDs prepared by hydride vapor phase epitaxy (HVPE were studied. Variations in photoluminescence and electroluminescence efficiency observed for LEDs grown under nominally similar conditions could be attributed to the difference in the structural quality (dislocation density, density of dislocations agglomerates of the GaN active layers, to the difference in strain relaxation achieved by growth of AlGaN/AlGaN superlattice and to the presence of current leakage channels in current confining AlGaN layers of the double heterostructure.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. Fiber Optic Microcantilever Sensor Coupled with Reactive Polymers for Vapor Phase Detection of Ammonia, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Luna Innovations proposes to adapt its current aqueous-based, fiber-optic microcantilever sensor technology for real-time, monitoring of ammonia in air. Phase I...

  7. 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.

  8. 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,...

  9. 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.

  10. 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

  11. Design of a Helium Vapor Shroud for Liquid Hydrogen Fueling of an Unmanned Aerial Vehicle (UAV)

    Science.gov (United States)

    Cavender, K.; Evans, C.; Haney, J.; Leachman, J.

    2017-12-01

    Filling a vehicular liquid hydrogen fuel tank presents the potential for flammable mixtures due to oxygen concentration from liquid air condensation. Current liquid hydrogen tank designs utilize insulating paradigms such as aerogel/fiberglass materials, vacuum jackets, or inert gas purge systems to keep the outer surface from reaching the condensation temperature of air. This work examines the heat transfer at the refuelling connection of the tank to identify potential areas of condensation, as well as the surface temperature gradient. A shrouded inert gas purge was designed to minimize vehicle weight and refuelling time. The design of a shrouded inert gas purge system is presented to displace air preventing air condensation. The design investigates 3D printed materials for an inert gas shroud, as well as low-temperature sealing designs. Shroud designs and temperature profiles were measured and tested by running liquid nitrogen through the filling manifold. Materials for the inert gas shroud are discussed and experimental results are compared to analytical model predictions. Suggestions for future design improvements are made.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Interface amorphization in hexagonal boron nitride films on sapphire substrate grown by metalorganic vapor phase epitaxy

    Science.gov (United States)

    Yang, Xu; Nitta, Shugo; Pristovsek, Markus; Liu, Yuhuai; Nagamatsu, Kentaro; Kushimoto, Maki; Honda, Yoshio; Amano, Hiroshi

    2018-05-01

    Hexagonal boron nitride (h-BN) films directly grown on c-plane sapphire substrates by pulsed-mode metalorganic vapor phase epitaxy exhibit an interlayer for growth temperatures above 1200 °C. Cross-sectional transmission electron microscopy shows that this interlayer is amorphous, while the crystalline h-BN layer above has a distinct orientational relationship with the sapphire substrate. Electron energy loss spectroscopy shows the energy-loss peaks of B and N in both the amorphous interlayer and the overlying crystalline h-BN layer, while Al and O signals are also seen in the amorphous interlayer. Thus, the interlayer forms during h-BN growth through the decomposition of the sapphire at elevated temperatures.

  19. An Assessment of the Technical Readiness of the Vapor Phase Catalytic Ammonia Removal Process (VPCAR) Technology

    Science.gov (United States)

    Flynn, Michael

    2000-01-01

    This poster provides an assessment of the technical readiness of the Vapor Phase Catalytic Ammonia Removal Process (VPCAR). The VPCAR technology is a fully regenerative water recycling technology designed specifically for applications such as a near term Mars exploration mission. The VPCAR technology is a highly integrated distillation/catalytic oxidation based water processor. It is designed to accept a combined wastewater stream (urine, condensate, and hygiene) and produces potable water in a single process step which requires -no regularly scheduled re-supply or maintenance for a 3 year mission. The technology is designed to be modular and to fit into a volume comparable to a single International Space Station Rack (when sized for a crew of 6). This poster provides a description of the VPCAR technology and a summary of the current performance of the technology. Also provided are the results of two separate NASA sponsored system trade studies which investigated the potential payback of further development of the VPCAR technology.

  20. Hydride vapor phase GaN films with reduced density of residual electrons and deep traps

    International Nuclear Information System (INIS)

    Polyakov, A. Y.; Smirnov, N. B.; Govorkov, A. V.; Yugova, T. G.; Cox, H.; Helava, H.; Makarov, Yu.; Usikov, A. S.

    2014-01-01

    Electrical properties and deep electron and hole traps spectra are compared for undoped n-GaN films grown by hydride vapor phase epitaxy (HVPE) in the regular process (standard HVPE samples) and in HVPE process optimized for decreasing the concentration of residual donor impurities (improved HVPE samples). It is shown that the residual donor density can be reduced by optimization from ∼10 17  cm −3 to (2–5) × 10 14  cm −3 . The density of deep hole traps and deep electron traps decreases with decreased donor density, so that the concentration of deep hole traps in the improved samples is reduced to ∼5 × 10 13  cm −3 versus 2.9 × 10 16  cm −3 in the standard samples, with a similar decrease in the electron traps concentration

  1. A quantitative infrared spectral library of vapor phase chemicals: applications to environmental monitoring and homeland defense

    Science.gov (United States)

    Sharpe, Steven W.; Johnson, Timothy J.; Sams, Robert L.

    2004-12-01

    The utility of infrared spectroscopy for monitoring and early warning of accidental or deliberate chemical releases to the atmosphere is well documented. Regardless of the monitoring technique (open-path or extractive) or weather the spectrometer is passive or active (Fourier transform or lidar) a high quality, quantitative reference library is essential for meaningful interpretation of the data. Pacific Northwest National Laboratory through the support of the Department of Energy has been building a library of pure, vapor phase chemical species for the last 4 years. This infrared spectral library currently contains over 300 chemicals and is expected to grow to over 400 chemicals before completion. The library spectra are based on a statistical fit to many spectra at different concentrations, allowing for rigorous error analysis. The contents of the library are focused on atmospheric pollutants, naturally occurring chemicals, toxic industrial chemicals and chemicals specifically designed to do damage. Applications, limitations and technical details of the spectral library will be discussed.

  2. 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)

  3. 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

  4. Thermodynamic analysis of trimethylgallium decomposition during GaN metal organic vapor phase epitaxy

    Science.gov (United States)

    Sekiguchi, Kazuki; Shirakawa, Hiroki; Chokawa, Kenta; Araidai, Masaaki; Kangawa, Yoshihiro; Kakimoto, Koichi; Shiraishi, Kenji

    2018-04-01

    We analyzed the decomposition of Ga(CH3)3 (TMG) during the metal organic vapor phase epitaxy (MOVPE) of GaN on the basis of first-principles calculations and thermodynamic analysis. We performed activation energy calculations of TMG decomposition and determined the main reaction processes of TMG during GaN MOVPE. We found that TMG reacts with the H2 carrier gas and that (CH3)2GaH is generated after the desorption of the methyl group. Next, (CH3)2GaH decomposes into (CH3)GaH2 and this decomposes into GaH3. Finally, GaH3 becomes GaH. In the MOVPE growth of GaN, TMG decomposes into GaH by the successive desorption of its methyl groups. The results presented here concur with recent high-resolution mass spectroscopy results.

  5. Aluminum Gallium Nitride Alloys Grown via Metalorganic Vapor-Phase Epitaxy Using a Digital Growth Technique

    Science.gov (United States)

    Rodak, L. E.; Korakakis, D.

    2011-04-01

    This work investigates the use of a digital growth technique as a viable method for achieving high-quality aluminum gallium nitride (Al x Ga1- x N) films via metalorganic vapor-phase epitaxy. Digital alloys are superlattice structures with period thicknesses of a few monolayers. Alloys with an AlN mole fraction ranging from 0.1 to 0.9 were grown by adjusting the thickness of the AlN layer in the superlattice. High-resolution x-ray diffraction was used to determine the superlattice period and c-lattice parameter of the structure, while reciprocal-space mapping was used to determine the a-lattice parameter and evaluate growth coherency. A comparison of the measured lattice parameter with both the nominal value and also the underlying buffer layer is discussed.

  6. Preparation of freestanding GaN wafer by hydride vapor phase epitaxy on porous silicon

    Science.gov (United States)

    Wu, Xian; Li, Peng; Liang, Renrong; Xiao, Lei; Xu, Jun; Wang, Jing

    2018-05-01

    A freestanding GaN wafer was prepared on porous Si (111) substrate using hydride vapor phase epitaxy (HVPE). To avoid undesirable effects of the porous surface on the crystallinity of the GaN, a GaN seed layer was first grown on the Si (111) bare wafer. A pattern with many apertures was fabricated in the GaN seed layer using lithography and etching processes. A porous layer was formed in the Si substrate immediately adjacent to the GaN seed layer by an anodic etching process. A 500-μm-thick GaN film was then grown on the patterned GaN seed layer using HVPE. The GaN film was separated from the Si substrate through the formation of cracks in the porous layer caused by thermal mismatch stress during the cooling stage of the HVPE. Finally, the GaN film was polished to obtain a freestanding GaN wafer.

  7. 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.

  8. 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

  9. 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%.

  10. 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

  11. Defect hydrogen vibrations in various phases deuterium ice

    International Nuclear Information System (INIS)

    Li, J.C.; Wang, Y.; Dong, S.L.; Zhang, P.; Kolesnikov, A.I.

    2003-01-01

    The inelastic incoherent neutron scattering spectra of D 2 O mixed with a small amount of H 2 O (5% by weight) high density amorphous (hda) ice, ice-VIII, and ice-II have been measured on HET spectrometer at Rutherford Appleton Laboratory (UK). The hydrogen atom in D 2 O ice lattice has three distinguished vibrations: two modes normal to the O---H bond at lower frequency and a stretching mode along the O-H bond at higher frequency. For different ice phases these frequencies are different, it was found that the lower defect mode is at ∼97 meV for ice-II, at about 95 meV for hda-ice and ice-VIII, and they are all lower than the value of 105 meV for ice-Ih. The O-H stretching modes are at 415 meV for ice-II, at 418 meV for hda-ice, and at 425 meV for ice-VIII, which all are much larger than the value for ice-Ih, 406 meV. It was also found that O-D stretching modes in D 2 O ice-VIII is centered at ∼320 meV which is significantly higher than the corresponding value of ∼305 meV for ice-Ih

  12. 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

  13. 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.)

  14. The effect of fuel and chlorinated hydrocarbons on a vapor phase carbon adsorption system

    International Nuclear Information System (INIS)

    Crawford, W.J.; Cheney, J.L.; Taggart, D.B.

    1995-01-01

    A soil vapor extraction (SVE) system installed at the South Tacoma Well 12A Superfund Site was designed to recover 1,2-dichloroethylene (DCE), trichloroethylene (TCE), tetrachloroethylene (PCE), and 1,1,2,2-tetrachloroethane (1,1,2,2-TCA) from the vadose zone. The basic system consisted of twenty-two extraction wells, three centrifugal blowers, and three carbon adsorbers. The carbon adsorbers were regenerated on site by steam stripping. The mixture of steam and stripped organics was condensed and then decanted to separate the water from the organic phase. The recovered water was air stripped to remove the dissolved organics prior to discharge to the city storm sewer. The recovered organic phase was then shipped off site for thermal destruction. Previous reports described operating difficulties with the decanter, and air strippers. Sampling and analyses were performed which identified the problem as the simultaneous recovery of unexpected fuel hydrocarbons in addition to the solvents. Recovery of fuels resulted in a light phase in the decanter in addition to the water and heavy solvent phases. This required redesign of the decanter to handle the third phase. The effectiveness of desorption of the carbon beds by steam stripping gradually decreased as the remediation progressed into the second year of operation. Samples were collected from the carbon beds to evaluate the effect of the fuel and chlorinated hydrocarbons on the activated carbon. This report describes the results of these analyses. The data indicated that both 1,1,2,2-TCA and fuel hydrocarbons in the C-9 to C-24 range remained in the carbon beds after steam regeneration in sufficient quantities to require replacing the carbon

  15. 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

  16. Two-stage coal liquefaction without gas-phase hydrogen

    Science.gov (United States)

    Stephens, H.P.

    1986-06-05

    A process is provided for the production of a hydrogen-donor solvent useful in the liquefaction of coal, wherein the water-gas shift reaction is used to produce hydrogen while simultaneously hydrogenating a donor solvent. A process for the liquefaction of coal using said solvent is also provided. The process enables avoiding the use of a separate water-gas shift reactor as well as high pressure equipment for liquefaction. 3 tabs.

  17. 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]....

  18. Hydrogen atom in phase space: the Wigner representation

    International Nuclear Information System (INIS)

    Praxmeyer, Ludmila; Mostowski, Jan; Wodkiewicz, Krzysztof

    2006-01-01

    The hydrogen atom is a fundamental exactly soluble system for which the Wigner function, being a quantum analogue of the joint probability distribution of position and momentum, is unknown. In this paper, we present an effective method of calculating the Wigner function, for all bound states of the nonrelativistic hydrogen atom. The formal similarity between the eigenfunctions of the nonrelativistic hydrogen atom in the momentum representation and the Klein-Gordon propagator has allowed the calculation of the Wigner function for an arbitrary bound state of the hydrogen atom, using a simple atomic integral as a generator. These Wigner functions for some low-lying states are depicted and discussed

  19. Hydrogen Recovery by ECR Plasma Pyrolysis of Methane, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Development of a microgravity and hypogravity compatible Electron Cyclotron Resonance (ECR) Plasma Methane Pyrolysis Reactor is proposed to recover hydrogen which is...

  20. 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.

  1. 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.

  2. 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

  3. 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...

  4. 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.)

  5. Ice-vapor equilibrium fractionation factor of hydrogen and oxygen isotopes

    DEFF Research Database (Denmark)

    Ellehøj, Mads Dam; Steen-Larsen, Hans Christian; Johnsen, Sigfus Johann

    2013-01-01

    RATIONALE: The equilibrium fractionation factors govern the relative change in the isotopic composition during phase transitions of water. The commonly used results, which were published more than 40 years ago, are limited to a minimum temperature of -33 degrees C. This limits the reliability...... values, with a temperature dependency in accordance with theory for equilibrium fractionation. We obtain the following expressions for the temperature dependency of the fractionation coefficients: ln(alpha(delta 2H)) = 0.2133 - 203.10/T + 48888/T-2 ln(alpha(delta 18O)) = 0.0831 - 49.192/T + 8312.5/T2...... Compared with previous experimental work, a significantly larger for H-2 is obtained while, for O-18, is larger for temperatures below -20 degrees C and slightly lower for temperatures above this. CONCLUSIONS: Using the new values for alpha, a Rayleigh distillation model shows significant changes in both...

  6. Inactivation of a solid-state detergent protease by hydrogen peroxide vapor and humidity

    DEFF Research Database (Denmark)

    Biran, Suzan; Jensen, Anker Degn; Kiil, Søren

    2009-01-01

    An experimental study on solid-state stability of a detergent protease (Savinase®) is reported. The inactivation kinetics of technical grade enzyme powder was determined as a function of gas phase H2O2 concentration and humidity by employing a quick assay running over few hours instead of several...... weeks as typical in industry. The results indicated that enzymes adsorbed significant amounts of moisture and H2O2 during exposure. The amount of adsorbed H2O2 did not depend on humidity in the gas stream, which implied that water and H2O2 were not competing for the same adsorption sites. Inactivation...... of the solid-state enzyme was caused by the mutual effect of increasing hydration and H2O2 (g) concentration. No auto-proteolytic activity or covalently bound aggregate formation was detected. A simple mechanism for solid-state enzyme oxidation was proposed and the kinetic parameters in the resulting rate...

  7. 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.

  8. 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

  9. Electrical, optical, and structural properties of GaN films prepared by hydride vapor phase epitaxy

    International Nuclear Information System (INIS)

    Polyakov, A.Y.; Smirnov, N.B.; Yakimov, E.B.; Usikov, A.S.; Helava, H.; Shcherbachev, K.D.; Govorkov, A.V.; Makarov, Yu N.; Lee, In-Hwan

    2014-01-01

    Highlights: • GaN films are prepared by hydride vapor phase epitaxy (HVPE). • Residual donors and deep traps show a minimum density versus growth temperature. • This minimum is located close to the HVPE growth temperature of 950 °C. • Good crystalline GaN with residual donor density < 10 16 cm −3 can be grown at 950 °C. - Abstract: Two sets of undoped GaN films with the thickness of 10–20 μm were prepared by hydride vapor phase epitaxy (HVPE) and characterized by capacitance–voltage (C–V) profiling, microcathodoluminescence (MCL) spectra measurements, MCL imaging, electron beam induced current (EBIC) imaging, EBIC dependence on accelerating voltage, deep levels transient spectroscopy, high resolution X-ray diffraction measurements. The difference in growth conditions was mainly related to the lower (850 °C, group 1) or higher (950 °C, group 2) growth temperature. Both groups of samples showed similar crystalline quality with the dislocation density close to 10 8 cm −2 , but very different electrical and optical properties. In group 1 samples the residual donors concentration was ∼10 17 cm −3 or higher, the MCL spectra were dominated by the band-edge luminescence, and the diffusion length of charge carriers was close to 0.1 μm. Group 2 samples had a 2–4.5 μm thick highly resistive layer on top, for which MCL spectra were determined by green, yellow and red defect bands, and the diffusion length was 1.5 times higher than in group 1. We also present brief results of growth at the “standard” HVPE growth temperature of 1050 °C that show the presence of a minimum in the net donor concentration and deep traps density as a function of the growth temperature. Possible reasons for the observed results are discussed in terms of the electrical compensation of residual donors by deep traps

  10. Spectroscopic properties of nitrogen doped hydrogenated amorphous carbon films grown by radio frequency plasma-enhanced chemical vapor deposition

    International Nuclear Information System (INIS)

    Hayashi, Y.; Yu, G.; Rahman, M. M.; Krishna, K. M.; Soga, T.; Jimbo, T.; Umeno, M.

    2001-01-01

    Nitrogen doped hydrogenated amorphous carbon thin films have been deposited by rf plasma-enhanced chemical vapor deposition using CH 4 as the source of carbon and with different nitrogen flow rates (N 2 /CH 4 gas ratios between 0 and 3), at 300 K. The dependence modifications of the optical and the structural properties on nitrogen incorporation were investigated using different spectroscopic techniques, such as, Raman spectroscopy, Fourier transform infrared spectroscopy, x-ray photoelectron spectroscopy, ultraviolet-visible (UV-VIS) spectroscopy, electron spin resonance (ESR), photoluminescence (PL) and spectroscopic ellipsometry (SE). Raman spectroscopy and IR absorption reveal an increase in sp 2 -bonded carbon or a change in sp 2 domain size with increasing nitrogen flow rate. It is found that the configuration of nitrogen atoms incorporated into an amorphous carbon network gradually changes from nitrogen atoms surrounded by three (σ bonded) to two (π bonded) neighboring carbons with increasing nitrogen flow rate. Tauc optical gap is reduced from 2.6 to 2.0 eV, and the ESR spin density and the peak-to-peak linewidth increase sharply with increasing nitrogen flow rate. Excellent agreement has been found between the measured SE data and modeled spectra, in which an empirical dielectric function of amorphous materials and a linear void distribution along the thickness have been assumed. The influence of nitrogen on the electronic density of states is explained based on the optical properties measured by UV-VIS and PL including nitrogen lone pair band. [copyright] 2001 American Institute of Physics

  11. Radiation Shielding and Hydrogen Storage with Multifunctional Carbon, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This project addresses two vital problems for long-term space travel activities: radiation shielding and hydrogen storage for power and propulsion. While both...

  12. Gas-phase hydrogenation of benzene on supported nickel catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Franco, H.A.; Phillips, M.J.

    1980-06-01

    The reaction of 22.66-280 Pa benzene with 72.39-122.79 Pa hydrogen on kieselguhr-supported nickel at 392.2/sup 0/-468.2/sup 0/K yielded only cyclohexane and was independent of 5.33-40 Pa cyclohexane added to the feed of the differential flow reactor. Best fit for the kinetic data was obtained with a rate equation developed by van Meerten and Coenen which assumed that all hydrogen addition steps have the same rate constant and are slow. An observed rate maximum at 458/sup 0/K may be the result of an increasing rate constant and decreasing cyclohexyl surface coverage as the temperature increases. Temperature-programed hydrogen desorption showed a series of desorption peaks at 358/sup 0/-600/sup 0/K, including one at 453/sup 0/K, which may be due to the hydrogen involved in the surface reaction.

  13. Hydrogen Recovery by ECR Plasma Pyrolysis of Methane, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Development of a microgravity and hypogravity compatible microwave plasma methane pyrolysis reactor is proposed to recover hydrogen which is lost as methane in the...

  14. Low Pressure Adsorbent for Recovery & Storage Vented Hydrogen, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A high performance fullerene-based adsorbent is proposed for recovery and storage hydrogen and separating helium via pressure-swing-adsorption (PSA) process....

  15. An Advanced Wet Expansion Turbine for Hydrogen Liquefaction, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal is responsive to NASA SBIR Topic X10.01, specifically, the need for efficient small- to medium-scale hydrogen liquefaction technologies including...

  16. 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

  17. 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...

  18. 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.

  19. On the vapor-liquid equilibrium in hydroprocessing reactors

    Energy Technology Data Exchange (ETDEWEB)

    Chen, J.; Munteanu, M.; Farooqi, H. [National Centre for Upgrading Technology, Devon, AB (Canada)

    2009-07-01

    When petroleum distillates undergo hydrotreating and hydrocracking, the feedstock and hydrogen pass through trickle-bed catalytic reactors at high temperatures and pressures with large hydrogen flow. As such, the oil is partially vaporized and the hydrogen is partially dissolved in liquid to form a vapor-liquid equilibrium (VLE) system with both vapor and liquid phases containing oil and hydrogen. This may result in considerable changes in flow rates, physical properties and chemical compositions of both phases. Flow dynamics, mass transfer, heat transfer and reaction kinetics may also be modified. Experimental observations of VLE behaviours in distillates with different feedstocks under a range of operating conditions were presented. In addition, VLE was predicted along with its effects on distillates in pilot and commercial scale plants. tabs., figs.

  20. Exchange of Na+ and K+ between water vapor and feldspar phases at high temperature and low vapor pressure

    Science.gov (United States)

    Fournier, R.O.

    1976-01-01

    In order to determine whether gas (steam) containing a small amount of dissolved alkali chloride is effective in promoting base exchange of Na+ and K+ among alkali feldspars and coexisting brine or brine plus solid salt, experiments were carried out at 400-700??C and steam densities ranging down to less than 0.05. For bulk compositions rich in potassium, the low pressure results are close to previous high-pressure results in composition of the fluid and coexisting solid phase. However, when the bulk composition is more sodic, alkali feldspars are relatively richer in potassium at low pressure than at high pressure. This behaviour corresponds to enrichment of potassium in the gas phase relative to coexisting brine and precipitation of solid NaCl when the brine plus gas composition becomes moderately sodic. The gas phase is very effective in promoting base exchange between coexisting alkali feldspars at high temperature and low water pressure. This suggests that those igneous rocks which contain coexisting alkali feldspars out of chemical equilibrium either remained very dry during the high-temperature part of their cooling history or that the pore fluid was a gas containing very little potassium relative to sodium. ?? 1976.

  1. Radiation Shielding Materials Containing Hydrogen, Boron, and Nitrogen: Systematic Computational and Experimental Study. Phase I

    Science.gov (United States)

    Thibeault, Sheila A.; Fay, Catharine C.; Lowther, Sharon E.; Earle, Kevin D.; Sauti, Godfrey; Kang, Jin Ho; Park, Cheol; McMullen, Amelia M.

    2012-01-01

    than possible with hydrogen storage; however, a systematic experimental hydrogenation study has not been reported. A combination of the two approaches may be explored to provide yet higher hydrogen content. The hydrogen containing BNNT produced in our study will be characterized for hydrogen content and thermal stability in simulated space service environments. These new materials systems will be tested for their radiation shielding effectiveness against high energy protons and high energy heavy ions at the HIMAC facility in Japan, or a comparable facility. These high energy particles simulate exposure to SEP and GCR environments. They will also be tested in the LaRC Neutron Exposure Laboratory for their neutron shielding effectiveness, an attribute that determines their capability to shield against the secondary neutrons found inside structures and on lunar and planetary surfaces. The potential significance is to produce a radiation protection enabling technology for future exploration missions. Crew on deep space human exploration missions greater than approximately 90 days cannot remain below current crew Permissible Exposure Limits without shielding and/or biological countermeasures. The intent of this research is to bring the Agency closer to extending space missions beyond the 90-day limit, with 1 year as a long-term goal. We are advocating a systems solution with a structural materials component. Our intent is to develop the best materials system for that materials component. In this Phase I study, we have shown, computationally, that hydrogen containing BNNT is effective for shielding against GCR, SEP, and neutrons over a wide range of energies. This is why we are focusing on hydrogen containing BNNT as an innovative advanced concept. In our future work, we plan to demonstrate, experimentally, that hydrogen, boron, and nitrogen based materials can provide mechanically strong, thermally stable, structural materials with effective radiation shielding against GCR

  2. Structural and optical inhomogeneities of Fe doped GaN grown by hydride vapor phase epitaxy

    Science.gov (United States)

    Malguth, E.; Hoffmann, A.; Phillips, M. R.

    2008-12-01

    We present the results of cathodoluminescence experiments on a set of Fe doped GaN samples with Fe concentrations of 5×1017, 1×1018, 1×1019, and 2×1020 cm-3. These specimens were grown by hydride vapor phase epitaxy with different concentrations of Fe. The introduction of Fe is found to promote the formation of structurally inhomogeneous regions of increased donor concentration. We detect a tendency of these regions to form hexagonal pits at the surface. The locally increased carrier concentration leads to enhanced emission from the band edge and the internal T41(G)-A61(S) transition of Fe3+. In these areas, the luminescence forms a finely structured highly symmetric pattern, which is attributed to defect migration along strain-field lines. Fe doping is found to quench the yellow defect luminescence band and to enhance the blue luminescence band due to the lowering of the Fermi level and the formation of point defects, respectively.

  3. High quality long-wavelength lasers grown by atmospheric organometallic vapor phase epitaxy using tertiarybutylarsine

    International Nuclear Information System (INIS)

    Miller, B.I.; Young, M.G.; Oron, M.; Koren, U.; Kisker, D.

    1990-01-01

    High quality long-wavelength InGaAsP/InP lasers were grown by atmospheric organometallic vapor phase epitaxy using tertiarybutylarsine (TBA) as a substitute for AsH 3 . Electrical and photoluminescence measurements on InGaAs and InGaAsP showed that TBA-grown material was at least as good as AsH 3 material in terms of suitability for lasers. From two wafers grown by TBA, current thresholds I th as low as 11 mA were obtained for a 2-μm-wide semi-insulating blocking planar buried heterostructure laser lasing near 1.3 μm wavelength. The differential quantum efficiencies η D were as high as 21%/facet with a low internal loss α=21 cm -1 . In addition I th as low as 18 mA and η D as high as 18% have been obtained for multiplequantum well lasers at 1.54 μm wavelength. These results show that TBA might be used to replace AsH 3 without compromising on laser performance

  4. Island dynamics and anisotropy during vapor phase epitaxy of m-plane GaN

    Energy Technology Data Exchange (ETDEWEB)

    Perret, Edith [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; University of Fribourg, Department of Physics and Fribourg Center for Nanomaterials, Chemin du Musée 3, CH-1700 Fribourg, Switzerland; Xu, Dongwei [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Highland, M. J. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Stephenson, G. B. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Zapol, P. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Fuoss, P. H. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Munkholm, A. [Munkholm Consulting, Mountain View, California 94043, USA; Thompson, Carol [Department of Physics, Northern Illinois University, DeKalb, Illinois 60115, USA

    2017-12-04

    Using in situ grazing-incidence x-ray scattering, we have measured the diffuse scattering from islands that form during layer-by-layer growth of GaN by metal-organic vapor phase epitaxy on the (1010) m-plane surface. The diffuse scattering is extended in the (0001) in-plane direction in reciprocal space, indicating a strong anisotropy with islands elongated along [1210] and closely spaced along [0001]. This is confirmed by atomic force microscopy of a quenched sample. Islands were characterized as a function of growth rate F and temperature. The island spacing along [0001] observed during the growth of the first monolayer obeys a power-law dependence on growth rate F-n, with an exponent n = 0:25 + 0.02. The results are in agreement with recent kinetic Monte Carlo simulations, indicating that elongated islands result from the dominant anisotropy in step edge energy and not from surface diffusion anisotropy. The observed power-law exponent can be explained using a simple steady-state model, which gives n = 1/4.

  5. Vapor Phase Synthesis of Organometal Halide Perovskite Nanowires for Tunable Room-Temperature Nanolasers.

    Science.gov (United States)

    Xing, Jun; Liu, Xin Feng; Zhang, Qing; Ha, Son Tung; Yuan, Yan Wen; Shen, Chao; Sum, Tze Chien; Xiong, Qihua

    2015-07-08

    Semiconductor nanowires have received considerable attention in the past decade driven by both unprecedented physics derived from the quantum size effect and strong isotropy and advanced applications as potential building blocks for nanoscale electronics and optoelectronic devices. Recently, organic-inorganic hybrid perovskites have been shown to exhibit high optical absorption coefficient, optimal direct band gap, and long electron/hole diffusion lengths, leading to high-performance photovoltaic devices. Herein, we present the vapor phase synthesis free-standing CH3NH3PbI3, CH3NH3PbBr3, and CH3NH3PbIxCl3(-x) perovskite nanowires with high crystallinity. These rectangular cross-sectional perovskite nanowires have good optical properties and long electron hole diffusion length, which ensure adequate gain and efficient optical feedback. Indeed, we have demonstrated optical-pumped room-temperature CH3NH3PbI3 nanowire lasers with near-infrared wavelength of 777 nm, low threshold of 11 μJ/cm(2), and a quality factor as high as 405. Our research advocates the promise of optoelectronic devices based on organic-inorganic perovskite nanowires.

  6. Vapor Phase Polymerization Deposition Conducting Polymer Nanocomposites on Porous Dielectric Surface as High Performance Electrode Materials

    Institute of Scientific and Technical Information of China (English)

    Ya jie Yang; Luning Zhang; Shibin Li; Zhiming Wang; Jianhua Xu; Wenyao Yang; Yadong Jiang

    2013-01-01

    We report chemical vapor phase polymerization(VPP) deposition of poly(3,4-ethylenedioxythiophene)(PEDOT) and PEDOT/graphene on porous dielectric tantalum pentoxide(Ta2O5) surface as cathode films for solid tantalum electrolyte capacitors. The modified oxidant/oxidant-graphene films were first deposited on Ta2O5 by dip-coating, and VPP process was subsequently utilized to transfer oxidant/oxidant-graphene into PEDOT/PEDOT-graphene films. The SEM images showed PEDOT/PEDOT-graphene films was successfully constructed on porous Ta2O5 surface through VPP deposition, and a solid tantalum electrolyte capacitor with conducting polymer-graphene nano-composites as cathode films was constructed. The high conductivity nature of PEDOT-graphene leads to resistance decrease of cathode films and lower contact resistance between PEDOT/graphene and carbon paste. This nano-composite cathode films based capacitor showed ultralow equivalent series resistance(ESR) ca. 12 m? and exhibited excellent capacitance-frequency performance, which can keep 82% of initial capacitance at 500 KHz. The investigation on leakage current revealed that the device encapsulation process has no influence on capacitor leakage current, indicating the excellent mechanical strength of PEDOT/PEDOT-gaphene films. This high conductivity and mechanical strength of graphene-based polymer films shows promising future for electrode materials such as capacitors, organic solar cells and electrochemical energy storage devices.

  7. Vapor phase polymerization deposition of conducting polymer/graphene nanocomposites as high performance electrode materials.

    Science.gov (United States)

    Yang, Yajie; Li, Shibin; Zhang, Luning; Xu, Jianhua; Yang, Wenyao; Jiang, Yadong

    2013-05-22

    In this paper, we report chemical vapor phase polymerization (VPP) deposition of novel poly(3,4-ethylenedioxythiophene) (PEDOT)/graphene nanocomposites as solid tantalum electrolyte capacitor cathode films. The PEDOT/graphene films were successfully prepared on porous tantalum pentoxide surface as cathode films through the VPP procedure. The results indicated that the high conductivity nature of PEDOT/graphene leads to the decrease of cathode films resistance and contact resistance between PEDOT/graphene and carbon paste. This nanocomposite cathode film based capacitor showed ultralow equivalent series resistance (ESR) ca. 12 mΩ and exhibited better capacitance-frequency performance than the PEDOT based capacitor. The leakage current investigation revealed that the device encapsulation process does not influence capacitor leakage current, indicating the excellent mechanical strength of PEDOT-graphene films. The graphene showed a distinct protection effect on the dielectric layer from possible mechanical damage. This high conductivity and mechanical strength graphene based conducting polymer nanocomposites indicated a promising application future for organic electrode materials.

  8. 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

  9. Field tests of a chemiresistor sensor for in-situ monitoring of vapor-phase contaminants

    Science.gov (United States)

    Ho, C.; McGrath, L.; Wright, J.

    2003-04-01

    An in-situ chemiresistor sensor has been developed that can detect volatile organic compounds in subsurface environmental applications. Several field tests were conducted in 2001 and 2002 to test the reliability, operation, and performance of the in-situ chemiresistor sensor system. The chemiresistor consists of a carbon-loaded polymer deposited onto a microfabricated circuit. The polymer swells reversibly in the presence of volatile organic compounds as vapor-phase molecules absorb into the polymer, causing a change in the electrical resistance of the circuit. The change in resistance can be calibrated to known concentrations of analytes, and arrays of chemiresistors can be used on a single chip to aid in discrimination. A waterproof housing was constructed to allow the chemiresistor to be used in a variety of media including air, soil, and water. The integrated unit, which can be buried in soils or emplaced in wells, is connected via cable to a surface-based solar-powered data logger. A cell-phone modem is used to automatically download the data from the data logger on a periodic basis. The field tests were performed at three locations: (1) Edwards Air Force Base, CA; (2) Nevada Test Site; and (3) Sandia's Chemical Waste Landfill near Albuquerque, NM. The objectives of the tests were to evaluate the ruggedness, longevity, operation, performance, and engineering requirements of these sensors in actual field settings. Results showed that the sensors could be operated continuously for long periods of time (greater than a year) using remote solar-powered data-logging stations with wireless telemetry. The sensor housing, which was constructed of 304 stainless steel, showed some signs of corrosion when placed in contaminated water for several months, but the overall integrity was maintained. The detection limits of the chemiresistors were generally found to be near 0.1% of the saturated vapor pressure of the target analyte in controlled laboratory conditions (e

  10. 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.

  11. 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

  12. 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

  13. 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

  14. 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

  15. Molecular dynamics study of kinetic boundary condition at an interface between a polyatomic vapor and its condensed phase

    OpenAIRE

    Ishiyama, Tatsuya; Yano, Takeru; Fujikawa, Shigeo

    2004-01-01

    The kinetic boundary condition for the Boltzmann equation at an interface between a polyatomic vapor and its liquid phase is investigated by the numerical method of molecular dynamics, with particular emphasis on the functional form of the evaporation part of the boundary condition, including the evaporation coefficient. The present study is an extension of a previous one for argon [Ishiyama, Yano, and Fujikawa, Phys. Fluids 16, 2899 (2004)] to water and methanol, typical examples of polyatom...

  16. 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.

  17. Dynamic scaling and kinetic roughening of poly(ethylene) islands grown by vapor phase deposition

    Czech Academy of Sciences Publication Activity Database

    Choukourov, A.; Melnichuk, I.; Gordeev, I.; Kylián, O.; Hanuš, J.; Kousal, J.; Solař, P.; Hanyková, L.; Brus, Jiří; Slavínská, D.; Biederman, H.

    2014-01-01

    Roč. 565, 28 August (2014), s. 249-260 ISSN 0040-6090 Institutional support: RVO:61389013 Keywords : poly(ethylene) * physical vapor deposition * island growth Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.759, year: 2014

  18. Solid State Transmitters for Water Vapor and Ozone DIAL Systems, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — We have developed a common architecture for laser transmitters that address requirements for water vapor as well as ground and airborne ozone lidar systems. Our...

  19. Correlation of vapor phase infrared spectra and regioisomeric structure in synthetic cannabinoids

    Science.gov (United States)

    Smith, Lewis W.; Thaxton-Weissenfluh, Amber; Abiedalla, Younis; DeRuiter, Jack; Smith, Forrest; Clark, C. Randall

    2018-05-01

    The twelve 1-n-pentyl-2-, 3-, 4-, 5-, 6- and 7-(1- and 2-naphthoyl)-indoles each have the same substituents attached to the indole ring, identical elemental composition (C24H23NO) yielding identical nominal and accurate masses. These twelve isomers cover all possible positions of carbonyl bridge substitution for both indole (positons 2-7) and naphthalene rings (positions 1 and 2). Regioisomeric compounds can represent significant challenges for mass based analytical methods however, infrared spectroscopy is a powerful tool for the identification of positional isomers in organic compounds. The vapor phase infrared spectra of these twelve uniquely similar compounds were evaluated in GC-IR experiments. These spectra show the bridge position on the indole ring is a dominating influence over the carbonyl absorption frequency observed for these compounds. Substitution on the pyrrole moiety of the indole ring yields the lowest Cdbnd O frequency values for position 2 and 3 giving a narrow range from 1656 to 1654 cm-1. Carbonyl absorption frequencies are higher when the naphthoyl group is attached to the benzene portion of the indole ring yielding absorption values from 1674 to 1671 cm-1. The aliphatic stretching bands in the 2900 cm-1 region yield a consistent triplet pattern because the N-alkyl substituent tail group remains unchanged for all twelve regioisomers. The asymmetric CH2 stretch is the most intense of these three bands. Changes in positional bonding for both the indole and naphthalene ring systems results in unique patterns within the 700 wavenumber out-of-plane region and these absorption bands are different for all 12 regioisomers.

  20. Polycrystalline indium phosphide on silicon by indium assisted growth in hydride vapor phase epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Metaferia, Wondwosen; Sun, Yan-Ting, E-mail: yasun@kth.se; Lourdudoss, Sebastian [Laboratory of Semiconductor Materials, Department of Materials and Nano Physics, KTH—Royal Institute of Technology, Electrum 229, 164 40 Kista (Sweden); Pietralunga, Silvia M. [CNR-Institute for Photonics and Nanotechnologies, P. Leonardo da Vinci, 32 20133 Milano (Italy); Zani, Maurizio; Tagliaferri, Alberto [Department of Physics Politecnico di Milano, P. Leonardo da Vinci, 32 20133 Milano (Italy)

    2014-07-21

    Polycrystalline InP was grown on Si(001) and Si(111) substrates by using indium (In) metal as a starting material in hydride vapor phase epitaxy (HVPE) reactor. In metal was deposited on silicon substrates by thermal evaporation technique. The deposited In resulted in islands of different size and was found to be polycrystalline in nature. Different growth experiments of growing InP were performed, and the growth mechanism was investigated. Atomic force microscopy and scanning electron microscopy for morphological investigation, Scanning Auger microscopy for surface and compositional analyses, powder X-ray diffraction for crystallinity, and micro photoluminescence for optical quality assessment were conducted. It is shown that the growth starts first by phosphidisation of the In islands to InP followed by subsequent selective deposition of InP in HVPE regardless of the Si substrate orientation. Polycrystalline InP of large grain size is achieved and the growth rate as high as 21 μm/h is obtained on both substrates. Sulfur doping of the polycrystalline InP was investigated by growing alternating layers of sulfur doped and unintentionally doped InP for equal interval of time. These layers could be delineated by stain etching showing that enough amount of sulfur can be incorporated. Grains of large lateral dimension up to 3 μm polycrystalline InP on Si with good morphological and optical quality is obtained. The process is generic and it can also be applied for the growth of other polycrystalline III–V semiconductor layers on low cost and flexible substrates for solar cell applications.

  1. Aluminum Nitride Micro-Channels Grown via Metal Organic Vapor Phase Epitaxy for MEMs Applications

    Energy Technology Data Exchange (ETDEWEB)

    Rodak, L.E.; Kuchibhatla, S.; Famouri, P.; Ting, L.; Korakakis, D.

    2008-01-01

    Aluminum nitride (AlN) is a promising material for a number of applications due to its temperature and chemical stability. Furthermore, AlN maintains its piezoelectric properties at higher temperatures than more commonly used materials, such as Lead Zirconate Titanate (PZT) [1, 2], making AlN attractive for high temperature micro and nanoelectromechanical (MEMs and NEMs) applications including, but not limited to, high temperature sensors and actuators, micro-channels for fuel cell applications, and micromechanical resonators. This work presents a novel AlN micro-channel fabrication technique using Metal Organic Vapor Phase Epitaxy (MOVPE). AlN easily nucleates on dielectric surfaces due to the large sticking coefficient and short diffusion length of the aluminum species resulting in a high quality polycrystalline growth on typical mask materials, such as silicon dioxide and silicon nitride [3,4]. The fabrication process introduced involves partially masking a substrate with a silicon dioxide striped pattern and then growing AlN via MOVPE simultaneously on the dielectric mask and exposed substrate. A buffered oxide etch is then used to remove the underlying silicon dioxide and leave a free standing AlN micro-channel. The width of the channel has been varied from 5 ìm to 110 ìm and the height of the air gap from 130 nm to 800 nm indicating the stability of the structure. Furthermore, this versatile process has been performed on (111) silicon, c-plane sapphire, and gallium nitride epilayers on sapphire substrates. Reflection High Energy Electron Diffraction (RHEED), Atomic Force Microscopy (AFM), and Raman measurements have been taken on channels grown on each substrate and indicate that the substrate is influencing the growth of the AlN micro-channels on the SiO2 sacrificial layer.

  2. 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)

  3. 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.

  4. Vapor phase coatings of metals and organics for laser fusion target applications

    International Nuclear Information System (INIS)

    Simonsic, G.A.; Powell, B.W.

    Techniques for applying a variety of metal and organic coatings to 50- to 500 μm diameter glass micro-balloons are discussed. Coating thicknesses vary from 1- to 10 μm. Physical vapor deposition (PVD), chemical vapor deposition (CVD), and electrolytic and electroless plating are some of the techniques being evaluated for metal deposition. PVD and glow discharge polymerization are being used for the application of organic coatings. (U.S.)

  5. 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)

  6. 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.

  7. 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.

  8. Rydberg phases of Hydrogen and low energy nuclear reactions

    Science.gov (United States)

    Olafsson, Sveinn; Holmlid, Leif

    2016-03-01

    For over the last 26 years the science of cold fusion/LENR has been researched around the world with slow pace of progress. Modest quantity of excess heat and signatures of nuclear transmutation and helium production have been confirmed in experiments and theoretical work has only resulted in a large flora of inadequate theoretical scenarios. Here we review current state of research in Rydberg matter of Hydrogen that is showing strong signature of nuclear processes. In the presentation experimental behavior of Rydberg matter of hydrogen is described. An extensive collaboration effort of surface physics, catalysis, atomic physics, solid state physics, nuclear physics and quantum information is need to tackle the surprising experimental results that have so far been obtained. Rydberg matter of Hydrogen is the only known state of matter that is able to bring huge collection of protons to so short distances and for so long time that tunneling becomes a reasonable process for making low energy nuclear reactions. Nuclear quantum entanglement can also become realistic process at theses conditions.

  9. 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

  10. 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.

  11. 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.

  12. 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.)

  13. 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)

  14. Mixed filling for the successive isotopic exchange in the phase sequence water - water vapors - hydrogen

    International Nuclear Information System (INIS)

    Stefanescu, D.; Peculea, M.; Hirean, I.; Croitoru, C.

    1995-01-01

    The paper deals with the process of the isotopic exchange implied in heavy water production. Details concerning the structural arrangement of the process contact elements inside the exchange columns are presented. A hydrophilic filling, based on phosphorous bronze, and the platinum catalyst structure , resulted from this work, are to be implemented in the column equipment of the heavy water distillation pilot operating in connection with the CANDU type reactors. The performances of the mixed catalyst components were derived from experimental data by means of the three fluids model equations

  15. New approaches to the study of lanthanide/actinide chloride: aluminum chloride vapor phase complexes

    International Nuclear Information System (INIS)

    Peterson, E.J.; Caird, J.A.; Carnall, W.T.; Hessler, J.P.; Hoekstra, H.R.; Williams, C.W.

    1979-01-01

    The spectrophotometric technique for vapor density measurements of complexed metal ions has been reformulated to account for temperature dependent effects and multi-species systems. Analysis of vapor pressure information indicates that the NdCl 3 --AlCl 3 and HoCl 3 --AlCl 3 systems are adequately explained by the existence of three vapor species. The two higher molecular weight complexes LnAl 4 Cl 15 and LnAl 3 Cl 12 were first proposed by Oeye and Gruen. The newly identified higher temperature species, HoAl 2 Cl 9 , contributes significantly to the vapor density above 750 0 K and below 3 atm of dimer pressure. In view of the consistency of the Nd +3 and Ho +3 chemistry the data for the Sm +3 system should be viewed with reservation. A new method for vapor density measurements involving use of radioactive tracers has been discussed in terms of its applicability to the study of (Ln,An)Cl 3 (AlCl 3 )/sub x/ systems

  16. 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

  17. Heterogeneous phase gamma irradiation of ethylene-hydrogen mixtures

    International Nuclear Information System (INIS)

    Molinari, M.A.; Lires, O.A.; Videla, G.J.

    1975-11-01

    Experiments of radioinduced ethylene hydrogenation were performed. The G yield of volatile saturated hydrocarbons was 0,49 for silica-gel with simultaneous irradiation and 0,09-0,05 for the other solids (silica-alumina and molecular sieve 5A). The highest yield corresponds to 4,5% of saturated products in relation to initial ammount of ethylene (silica-gel). Polymerization was the most important reaction, with yields as high as 95%. Changes in color and appearance of silica-aluminia in contact with moisture was observed, after the irradiation process. (author) [es

  18. 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

  19. 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.

  20. Modeling liquid-vapor equilibria with an equation of state taking into account dipolar interactions and association by hydrogen bonding

    International Nuclear Information System (INIS)

    Perfetti, E.

    2006-11-01

    Modelling fluid-rock interactions as well as mixing and unmixing phenomena in geological processes requires robust equations of state (EOS) which must be applicable to systems containing water, gases over a broad range of temperatures and pressures. Cubic equations of state based on the Van der Waals theory (e. g. Soave-Redlich-Kwong or Peng-Robinson) allow simple modelling from the critical parameters of the studied fluid components. However, the accuracy of such equations becomes poor when water is a major component of the fluid since neither association trough hydrogen bonding nor dipolar interactions are accounted for. The Helmholtz energy of a fluid may be written as the sum of different energetic contributions by factorization of partition function. The model developed in this thesis for the pure H 2 O and H 2 S considers three contributions. The first contribution represents the reference Van der Waals fluid which is modelled by the SRK cubic EOS. The second contribution accounts for association through hydrogen bonding and is modelled by a term derived from Cubic Plus Association (CPA) theory. The third contribution corresponds to the dipolar interactions and is modelled by the Mean Spherical Approximation (MSA) theory. The resulting CPAMSA equation has six adjustable parameters, which three represent physical terms whose values are close to their experimental counterpart. This equation results in a better reproduction of the thermodynamic properties of pure water than obtained using the classical CPA equation along the vapour-liquid equilibrium. In addition, extrapolation to higher temperatures and pressure is satisfactory. Similarly, taking into account dipolar interactions together with the SRK cubic equation of state for calculating molar volume of H 2 S as a function of pressure and temperature results in a significant improvement compared to the SRK equation alone. Simple mixing rules between dipolar molecules are proposed to model the H 2 O-H 2 S

  1. 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)

  2. 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.

  3. Treatment of Produced Water Using a Surfactant Modified Zeolite/Vapor Phase Bioreactor System

    Energy Technology Data Exchange (ETDEWEB)

    Lynn E. Katz; Kerry A. Kinney; Robert S. Bowman; Enid J. Sullivan; Soondong Kwon; Elaine B. Darby; Li-Jung Chen; Craig R. Altare

    2006-01-31

    Co-produced water from the oil and gas industry accounts for a significant waste stream in the United States. Produced waters typically contain a high total dissolved solids content, dissolved organic constituents such as benzene and toluene, an oil and grease component as well as chemicals added during the oil-production process. It has been estimated that a total of 14 billion barrels of produced water were generated in 2002 from onshore operations (Veil, 2004). Although much of this produced water is disposed via reinjection, environmental and cost considerations can make surface discharge of this water a more practical means of disposal. In addition, reinjection is not always a feasible option because of geographic, economic, or regulatory considerations. In these situations, it may be desirable, and often necessary from a regulatory viewpoint, to treat produced water before discharge. It may also be feasible to treat waters that slightly exceed regulatory limits for re-use in arid or drought-prone areas, rather than losing them to reinjection. A previous project conducted under DOE Contract DE-AC26-99BC15221 demonstrated that surfactant modified zeolite (SMZ) represents a potential treatment technology for produced water containing BTEX. Laboratory and field experiments suggest that: (1) sorption of benzene, toluene, ethylbenzene and xylenes (BTEX) to SMZ follows linear isotherms in which sorption increases with increasing solute hydrophobicity; (2) the presence of high salt concentrations substantially increases the capacity of the SMZ for BTEX; (3) competitive sorption among the BTEX compounds is negligible; and, (4) complete recovery of the SMZ sorption capacity for BTEX can be achieved by air sparging the SMZ. This report summarizes research for a follow on project to optimize the regeneration process for multiple sorption/regeneration cycles, and to develop and incorporate a vapor phase bioreactor (VPB) system for treatment of the off-gas generated during

  4. 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)

  5. 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

  6. 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

  7. 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

  8. Two-phase model of hydrogen transport to optimize nanoparticle catalyst loading for hydrogen evolution reaction

    DEFF Research Database (Denmark)

    Kemppainen, Erno; Halme, Janne; Hansen, Ole

    2016-01-01

    is the evolution and transport of gaseous H2, since HER leads to the continuous formation of H2 bubbles near the electrode. We present a numerical model that includes the transport of both gaseous and dissolved H2, as well as mass exchange between them, and combine it with a kinetic model of HER at platinum (Pt......) nanoparticle electrodes. We study the effect of the diffusion layer thickness and H2 dissolution rate constant on the importance of gaseous transport, and the effect of equilibrium hydrogen coverage and Pt loading on the kinetic and mass transport overpotentials. Gaseous transport becomes significant when...

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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...

  16. Two Magnon Raman Scattering as Indicator for Superconducting to Antiferromagnetic Phase Transition Upon Hydrogenation of YBCO

    International Nuclear Information System (INIS)

    Biton, Y.; Shuker, R.

    1999-01-01

    Raman spectra of Hydrogenated YBa 2 Cu 3 O 7-x + H y , where y = 0.45 and 0.19 is the number of Hydrogen atoms per units cell. The spectra exhibit important changes in the electronic scattering. Upon progressive doping with Hydrogen two magnon scattering features emerge. This coincides with the transition of YBa 2 Cu 3 O 7x +H y from superconducting to antiferromagnetic phase. Exchange energy values were obtained from two magnon Raman scattering of the y = 0.45 material. It has been found that for y= 0.19 the sample has not lost its superconductivity, and indeed two-magnon scattering has not been observed. However, the situation changed substantially when the doping of the Hydrogen atoms was 0.45. The two-magnon scattering has been observed at different temperatures down to 20K. The two-magnon energy density exhibits two peak values around 2100cm -1 and 3000cm -1

  17. 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

  18. Hollow nanoporous covalent triazine frameworks via acid vapor-assisted solid phase synthesis for enhanced visible light photoactivity

    KAUST Repository

    Huang, Wei

    2016-04-11

    Herein, we report a novel trifluoromethanesulfonic acid vapor-assisted solid phase synthetic method to construct nanoporous covalent triazine frameworks with highly ordered hollow interconnected pores under mild reaction conditions. This unique solid state synthetic route allows not only the avoidance of undesired side reactions caused by traditional high temperature synthesis, but also the maintaining of defined and precise optical and electronic properties of the nonporous triazine frameworks. Promising photocatalytic activity of the polytriazine networks was demonstrated in the photoreduction reaction of 4-nitrophenol into 4-aminophenol under visible light irradiation.

  19. Identification of vapor-phase chemical warfare agent simulants and rocket fuels using laser-induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Stearns, Jaime A.; McElman, Sarah E.; Dodd, James A.

    2010-01-01

    Application of laser-induced breakdown spectroscopy (LIBS) to the identification of security threats is a growing area of research. This work presents LIBS spectra of vapor-phase chemical warfare agent simulants and typical rocket fuels. A large dataset of spectra was acquired using a variety of gas mixtures and background pressures and processed using partial least squares analysis. The five compounds studied were identified with a 99% success rate by the best method. The temporal behavior of the emission lines as a function of chamber pressure and gas mixture was also investigated, revealing some interesting trends that merit further study.

  20. Identification of vapor-phase chemical warfare agent simulants and rocket fuels using laser-induced breakdown spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Stearns, Jaime A.; McElman, Sarah E.; Dodd, James A.

    2010-05-01

    Application of laser-induced breakdown spectroscopy (LIBS) to the identification of security threats is a growing area of research. This work presents LIBS spectra of vapor-phase chemical warfare agent simulants and typical rocket fuels. A large dataset of spectra was acquired using a variety of gas mixtures and background pressures and processed using partial least squares analysis. The five compounds studied were identified with a 99% success rate by the best method. The temporal behavior of the emission lines as a function of chamber pressure and gas mixture was also investigated, revealing some interesting trends that merit further study.

  1. Hollow nanoporous covalent triazine frameworks via acid vapor-assisted solid phase synthesis for enhanced visible light photoactivity

    KAUST Repository

    Huang, Wei; Wang, Zi Jun; Ma, Beatriz Chiyin; Ghasimi, Saman; Gehrig, Dominik; Laquai, Fré dé ric; Landfester, Katharina; Zhang, Kai A. I.

    2016-01-01

    Herein, we report a novel trifluoromethanesulfonic acid vapor-assisted solid phase synthetic method to construct nanoporous covalent triazine frameworks with highly ordered hollow interconnected pores under mild reaction conditions. This unique solid state synthetic route allows not only the avoidance of undesired side reactions caused by traditional high temperature synthesis, but also the maintaining of defined and precise optical and electronic properties of the nonporous triazine frameworks. Promising photocatalytic activity of the polytriazine networks was demonstrated in the photoreduction reaction of 4-nitrophenol into 4-aminophenol under visible light irradiation.

  2. 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.

  3. 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.

  4. 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.

  5. 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)

  6. Theoretical approaches and experimental evidence for liquid-vapor phase transitions in nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Moretto, L.G.; Elliott, J.B.; Phair, L.; Wozniak, G.J.; Mader, C.M.; Chappars, A.

    2001-01-01

    The leptodermous approximation is applied to nuclear systems for T > 0. The introduction of surface corrections leads to anomalous caloric curves and to negative heat capacities in the liquid-gas coexistence region. Clusterization in the vapor is described by associating surface energy to clusters according to Fisher's formula. The three-dimensional Ising model, a leptodermous system par excellence, does obey rigorously Fisher's scaling up to the critical point. Multifragmentation data from several experiments including the ISiS and EOS Collaborations, as well as compound nucleus fragment emission at much lower energy follow the same scaling, thus providing the strongest evidence yet of liquid-vapor coexistence.

  7. Modeling Two-Phase Flow and Vapor Cycles Using the Generalized Fluid System Simulation Program

    Science.gov (United States)

    Smith, Amanda D.; Majumdar, Alok K.

    2017-01-01

    This work presents three new applications for the general purpose fluid network solver code GFSSP developed at NASA's Marshall Space Flight Center: (1) cooling tower, (2) vapor-compression refrigeration system, and (3) vapor-expansion power generation system. These systems are widely used across engineering disciplines in a variety of energy systems, and these models expand the capabilities and the use of GFSSP to include fluids and features that are not part of its present set of provided examples. GFSSP provides pressure, temperature, and species concentrations at designated locations, or nodes, within a fluid network based on a finite volume formulation of thermodynamics and conservation laws. This paper describes the theoretical basis for the construction of the models, their implementation in the current GFSSP modeling system, and a brief evaluation of the usefulness of the model results, as well as their applicability toward a broader spectrum of analytical problems in both university teaching and engineering research.

  8. Vapor phase modification of sol-gel derived titania (TiO{sub 2}) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Piwonski, Ireneusz [University of Lodz, Department of Chemical Technology and Environmental Protection, Pomorska 163, 90-236 Lodz (Poland)]. E-mail: irek@uni.lodz.pl; Ilik, Aneta [University of Lodz, Department of Chemical Technology and Environmental Protection, Pomorska 163, 90-236 Lodz (Poland)

    2006-12-30

    Chemical vapor deposition (CVD) method was used in titania surface modification. Titania layers were obtained in sol-gel process and prepared as thin films on silicon wafers in dip-coating method. In order to define the influence of modification on titania surface properties (e.g., friction), various types of fluoroalkylsilanes were used. The effectiveness of the modification was monitored by FT-IR spectroscopy. The topography and frictional measurements were investigated with the use of atomic force microscopy (AFM)

  9. 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

  10. 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

  11. 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

  12. Gas phase hydrogen peroxide production in atmospheric pressure glow discharges operating in He - H2O

    NARCIS (Netherlands)

    Vasko, C.A.; Veldhuizen, van E.M.; Bruggeman, P.J.

    2013-01-01

    The gas phase production of hydrogen peroxide (H2O2) in a RF atmospheric pressure glow discharge with helium and water vapour has been investigated as a function of the gas flow. It is shown that the production of H2O2 is through the recombination of two OH radicals in a three body collision and the

  13. 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.

  14. Integration of phase change materials in compressed hydrogen gas systems: Modelling and parametric analysis

    DEFF Research Database (Denmark)

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

    2016-01-01

    to the phase change material, mainly occurs after the fueling is completed, resulting in a hydrogen peak temperature higher than 85 C and a lower fueled mass than a gas-cooled system. Such a mass reduction accounts for 12% with respect to the case of a standard tank system fueled at 40 C. A parametric analysis...

  15. 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.

  16. Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles

    Energy Technology Data Exchange (ETDEWEB)

    McGrath, M; Siepmann, J I; Kuo, I W; Mundy, C J; Vandevondele, J; Sprik, M; Hutter, J; Mohamed, F; Krack, M; Parrinello, M

    2004-10-20

    Efficient Monte Carlo algorithms are combined with the Quickstep energy routines of CP2K to develop a program that allows for Monte Carlo simulations in the canonical, isobaric-isothermal, and Gibbs ensembles using a first principles description of the physical system. Configurational-bias Monte Carlo techniques and pre-biasing using an inexpensive approximate potential are employed to increase the sampling efficiency and to reduce the frequency of expensive ab initio energy evaluations. The new Monte Carlo program has been validated through extensive comparison with molecular dynamics simulations using the programs CPMD and CP2K. Preliminary results for the vapor-liquid coexistence properties (T = 473 K) of water using the Becke-Lee-Yang-Parr exchange and correlation energy functionals, a triple-zeta valence basis set augmented with two sets of d-type or p-type polarization functions, and Goedecker-Teter-Hutter pseudopotentials are presented. The preliminary results indicate that this description of water leads to an underestimation of the saturated liquid density and heat of vaporization and, correspondingly, an overestimation of the saturated vapor pressure.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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)

  4. Magmatic Vapor Phase Transport of Copper in Reduced Porphyry Copper-Gold Deposits: Evidence From PIXE Microanalysis of Fluid Inclusions

    Science.gov (United States)

    Rowins, S. M.; Yeats, C. J.; Ryan, C. G.

    2002-05-01

    Nondestructive proton-induced X-ray emission (PIXE) studies of magmatic fluid inclusions in granite-related Sn-W deposits [1] reveal that copper transport out of reduced felsic magmas is favored by low-salinity vapor and not co-existing high-salinity liquid (halite-saturated brine). Copper transport by magmatic vapor also has been documented in oxidized porphyry Cu-Au deposits, but the magnitude of Cu partitioning into the vapor compared to the brine generally is less pronounced than in the reduced magmatic Sn-W systems [2]. Consideration of these microanalytical data leads to the hypothesis that Cu and, by inference, Au in the recently established "reduced porphyry copper-gold" (RPCG) subclass should partition preferentially into vapor and not high-salinity liquid exsolving directly from fluid-saturated magmas [3-4]. To test this hypothesis, PIXE microanalysis of primary fluid inclusions in quartz-sulfide (pyrite, pyrrhotite & chalcopyrite) veins from two RPCG deposits was undertaken using the CSIRO-GEMOC nuclear microprobe. PIXE microanalysis for the ~30 Ma San Anton deposit (Mexico) was done on halite-saturated aqueous brine (deposit (W. Australia) was done on halite-saturated "aqueous" inclusions, which contain a small (deposits of the new RPCG subclass demonstrate the greater potential of these systems, compared to the classically oxidized porphyry Cu-Au systems, to transport Cu and probably precious metals in a magmatic aqueous vapor phase. These PIXE data also support the possibility that Cu partitions preferentially into an immiscible CO2-rich magmatic fluid. References: [1] Heinrich, C.A. et al. (1992) Econ. Geol., 87, 1566-1583. [2] Heinrich, C.A. et al. (1999) Geology, 27, 755-758. [3] Rowins, S.M. (2000) Geology, 28, 491-494. [4] Rowins, S.M. (2000) The Gangue, GAC-MDD Newsletter, 67, 1-7 (www.gac.ca). [5] Rowins, S.M. et al. (1993) Geol. Soc. Australia Abs., 34, 68-70.

  5. Thermal ionization and plasma state of high temperature vapor of UO2, Cs, and Na: Effect on the heat and radiation transport properties of the vapor phase

    International Nuclear Information System (INIS)

    Karow, H.U.

    1979-01-01

    The paper deals with the question how far the thermophysical state and the convective and radiative heat transport properties of vaporized reactor core materials are affected by the thermal ionization existing in the actual vapor state. The materials under consideration here are: nuclear oxide fuel (UO 2 ), Na (as the LMFBR coolant material), and Cs (alkaline fission product, partly retained in the fuel of the core zone). (orig./RW) [de

  6. 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.

  7. 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....

  8. Hydrogen isotope correction for laser instrument measurement bias at low water vapor concentration using conventional isotope analyses: application to measurements from Mauna Loa Observatory, Hawaii.

    Science.gov (United States)

    Johnson, L R; Sharp, Z D; Galewsky, J; Strong, M; Van Pelt, A D; Dong, F; Noone, D

    2011-03-15

    The hydrogen and oxygen isotope ratios of water vapor can be measured with commercially available laser spectroscopy analyzers in real time. Operation of the laser systems in relatively dry air is difficult because measurements are non-linear as a function of humidity at low water concentrations. Here we use field-based sampling coupled with traditional mass spectrometry techniques for assessing linearity and calibrating laser spectroscopy systems at low water vapor concentrations. Air samples are collected in an evacuated 2 L glass flask and the water is separated from the non-condensable gases cryogenically. Approximately 2 µL of water are reduced to H(2) gas and measured on an isotope ratio mass spectrometer. In a field experiment at the Mauna Loa Observatory (MLO), we ran Picarro and Los Gatos Research (LGR) laser analyzers for a period of 25 days in addition to periodic sample collection in evacuated flasks. When the two laser systems are corrected to the flask data, they are strongly coincident over the entire 25 days. The δ(2)H values were found to change by over 200‰ over 2.5 min as the boundary layer elevation changed relative to MLO. The δ(2)H values ranged from -106 to -332‰, and the δ(18)O values (uncorrected) ranged from -12 to -50‰. Raw data from laser analyzers in environments with low water vapor concentrations can be normalized to the international V-SMOW scale by calibration to the flask data measured conventionally. Bias correction is especially critical for the accurate determination of deuterium excess in dry air. Copyright © 2011 John Wiley & Sons, Ltd.

  9. 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.

  10. Decrease in lower level density due to cooling of gas temperature by thermal dissociation of hydrogen in copper vapor laser

    International Nuclear Information System (INIS)

    Watanabe, Ikuo; Hayashi, Kazuo; Iseki, Yasushi; Suzuki, Setsuo; Noda, Etsuo; Morimiya, Osamu

    1995-01-01

    A gas temperature calculation is carried out in the copper vapor laser (CVL) with a beam diameter of 80 mm in the case of H 2 addition into the Ne buffer gas. The on-axis gas temperature decreases to 2800K with 1% concentration of H 2 , whereas the gas temperature is 3400K without H 2 . The on-axis lower level density decreases due to the cooling of the gas temperature. This decrease in the lower level density is thought to bring about a non annular beam profile in the case of H 2 addition. (author)

  11. 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.

  12. 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.

  13. Preparation of high-pressure phase boron nitride films by physical vapor deposition

    CERN Document Server

    Zhu, P W; Zhao, Y N; Li, D M; Liu, H W; Zou Guang Tian

    2002-01-01

    The high-pressure phases boron nitride films together with cubic, wurtzic, and explosive high-pressure phases, were successfully deposited on the metal alloy substrates by tuned substrate radio frequency magnetron sputtering. The percentage of cubic boron nitride phase in the film was about 50% as calculated by Fourier transform infrared measurements. Infrared peak position of cubic boron nitride at 1006.3 cm sup - sup 1 , which is close to the stressless state, indicates that the film has very low internal stress. Transition electron microscope micrograph shows that pure cubic boron nitride phase exits on the surface of the film. The growth mechanism of the BN films was also discussed.

  14. 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

  15. 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.)

  16. 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.

  17. Vacuum distillation/vapor filtration water recovery, phases 1 and 2

    Science.gov (United States)

    Honegger, R. J.; Remus, G. A.; Krug, E. K.

    1973-01-01

    The research is reported on the development of an evaporator for vacuum distillation/vapor filtration VD/VF water reclamation system for use on manned space flights. The design, fabrication, and tests of a six-man evaporator are described. It is concluded that: (1) A condenser with an internal rotating impeller and coolant surfaces directly opposite the condensing surfaces is an effective condenser. (2) The VD/VF evaporator, catalyst unit and condenser function satisfactorily based on thermal, mechanical and recovery performance during a 145-hour evaluation test. (3) The quality of recovered water, as measured by analyses for total organic carbon, pH, conductivity, turbidity, and viable bacteria density was within established limits for potability.

  18. A low phase noise microwave frequency synthesis for a high-performance cesium vapor cell atomic clock

    Energy Technology Data Exchange (ETDEWEB)

    François, B.; Boudot, R. [FEMTO-ST, CNRS, Université de Franche-Comté, 26 chemin de l' Epitaphe, 25030 Besançon (France); Calosso, C. E. [INRIM, Strada delle Cacce 91, 10135 Torino (Italy); Danet, J. M. [LNE-SYRTE, Observatoire de Paris, CNRS-UPMC, 61 avenue de l' Observatoire, 75014 Paris (France)

    2014-09-15

    We report the development, absolute phase noise, and residual phase noise characterization of a 9.192 GHz microwave frequency synthesis chain devoted to be used as a local oscillator in a high-performance cesium vapor cell atomic clock based on coherent population trapping (CPT). It is based on frequency multiplication of an ultra-low phase noise 100 MHz oven-controlled quartz crystal oscillator using a nonlinear transmission line-based chain. Absolute phase noise performances of the 9.192 GHz output signal are measured to be −42, −100, −117 dB rad{sup 2}/Hz and −129 dB rad{sup 2}/Hz at 1 Hz, 100 Hz, 1 kHz, and 10 kHz offset frequencies, respectively. Compared to current results obtained in a state-of-the-art CPT-based frequency standard developed at LNE-SYRTE, this represents an improvement of 8 dB and 10 dB at f = 166 Hz and f = 10 kHz, respectively. With such performances, the expected Dick effect contribution to the atomic clock short term frequency stability is reported at a level of 6.2 × 10{sup −14} at 1 s integration time, that is a factor 3 higher than the atomic clock shot noise limit. Main limitations are pointed out.

  19. Hydrogen.

    Science.gov (United States)

    Bockris, John O'M

    2011-11-30

    The idea of a "Hydrogen Economy" is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO₂ in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H₂ from the electrolyzer. Methanol made with CO₂ from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan). Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs) by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  20. 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

  1. 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.

  2. 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

  3. Measurement of vapor-liquid-liquid phase equilibrium-Equipment and results

    DEFF Research Database (Denmark)

    Frost, Michael Grynnerup; von Solms, Nicolas; Richon, Dominique

    2015-01-01

    There exists a need for new accurate and reliable experimental data, preferably with full characterization of all the phases present in equilibrium. The need for high-quality experimental phase equilibrium data is the case for the chemical industry in general. All areas deal with processes whose ...

  4. 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

  5. Properties of Erbium Doped Hydrogenated Amorphous Carbon Layers Fabricated by Sputtering and Plasma Assisted Chemical Vapor Deposition

    Directory of Open Access Journals (Sweden)

    V. Prajzler

    2008-01-01

    Full Text Available We report about properties of carbon layers doped with Er3+ ions fabricated by Plasma Assisted Chemical Vapor Deposition (PACVD and by sputtering on silicon or glass substrates. The structure of the samples was characterized by X-ray diffraction and their composition was determined by Rutherford Backscattering Spectroscopy and Elastic Recoil Detection Analysis. The Absorbance spectrum was taken in the spectral range from 400 nm to 600 nm. Photoluminescence spectra were obtained using two types of Ar laser (λex=514.5 nm, lex=488 nm and also using a semiconductor laser (λex=980 nm. Samples fabricated by magnetron sputtering exhibited typical emission at 1530 nm when pumped at 514.5 nm. 

  6. Vapor Chamber with Phase Change Material-Based Wick Structure for Thermal Control of Manned Spacecraft, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — During a NASA Phase I SBIR program, ACT addressed the need for light-weight, non-venting PCM heat storage devices by successfully demonstrating proof-of-concept of a...

  7. Vapor Chamber with Phase Change Material-based Wick Structure for Thermal Control of Manned Spacecraft, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — In response to NASA SBIR solicitation H3.01 "Thermal Control for Future Human Exploration", Advanced Cooling Technologies, Inc. (ACT) is proposing a novel Phase...

  8. 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.)

  9. 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

  10. Highly resistive C-doped hydride vapor phase epitaxy-GaN grown on ammonothermally crystallized GaN seeds

    Science.gov (United States)

    Iwinska, Malgorzata; Piotrzkowski, Ryszard; Litwin-Staszewska, Elzbieta; Sochacki, Tomasz; Amilusik, Mikolaj; Fijalkowski, Michal; Lucznik, Boleslaw; Bockowski, Michal

    2017-01-01

    GaN crystals were grown by hydride vapor phase epitaxy (HVPE) and doped with C. The seeds were high-structural-quality ammonothermally crystallized GaN. The grown crystals were highly resistive at 296 K and of high structural quality. High-temperature Hall effect measurements revealed p-type conductivity and a deep acceptor level in the material with an activation energy of 1 eV. This is in good agreement with density functional theory calculations based on hybrid functionals as presented by the Van de Walle group. They obtained an ionization energy of 0.9 eV when C was substituted for N in GaN and acted as a deep acceptor.

  11. Vapor-phase etching of InP using anhydrous HCl and PH/sub 3/ gas

    International Nuclear Information System (INIS)

    Pak, K.; Koide, Y.; Imai, K.; Yoshida, A.; Nakamura, T.; Yasuda, Y.; Nishinaga, T.

    1986-01-01

    In situ etching of the substrate surface for vapor-phase epitaxy is a useful technique for obtaining a smooth and damage-free surface prior to the growth. Previous work showed that the incorporation of in situ etching of InP substrate with anhydrous HCl gas resulted in a significant improvement in the surface morphologies for MOVPE-grown InGaAs/InP and InP epitaxial layers. However, the experiment on the HCl etching of the InP substrate for a wide temperature range has not been performed as yet. In this note, the authors describe the effect of the substrate temperature on the etching morphology of InP substrate by using the anhydrous HCl and PH/sub 3/ gases. In the experiment, they used a standard MOVPE horizontal system. A quartz reactor tube in a 60 mm ID, 60 cm long, was employed

  12. Photoluminescence investigation of thick GaN films grown on Si substrates by hydride vapor phase epitaxy

    International Nuclear Information System (INIS)

    Yang, M.; Ahn, H. S.; Chang, J. H.; Yi, S. N.; Kim, K. H.; Kim, H.; Kim, S. W.

    2003-01-01

    The optical properties of thick GaN films grown by hydried vapor phase epitaxy (HVPE) using a low-temperature intermediate GaN buffer layer grown on a (111) Si substrate with a ZnO thin film were investigated by using photoluminescence (PL) measurement at 300 K and 77 K. The strong donor bound exciton (DBE) at 357 nm with a full width at half maximum (FWHM) of 15 meV was observed at 77 K. The value of 15 meV is extremely narrow for GaN grown on Si substrate by HVPE. An impurity-related peak was also observed at 367 nm. The origin of impurity was investigated using Auger spectroscopy.

  13. Preparation of mesoporous nanofibers by vapor phase synthesis: control of mesopore structures with the aid of co-surfactants

    International Nuclear Information System (INIS)

    Min, Sa Hoon; Jang, Jyongsik; Lee, Kyung Jin; Bae, Joonwon

    2013-01-01

    Mesoporous nanofibers (MSNFs) can be fabricated in the pores of anodic aluminum oxide (AAO) membrane using diverse methods. Among them vapor phase synthesis (VPS) provides several advantages over sol–gel or evaporation-induced self-assembly (EISA) based methods. One powerful advantage is that we can employ multiple surfactants as structural directing agents (SDAs) simultaneously. By adopting diverse pairs of SDAs, we can control the mesopore structures, i.e. pore size, surface area, and even the morphology of mesostructures. Here, we used F127 as a main SDA, which is relatively robust (thus, difficult to change the mesopore structures), and added a series of cationic co-surfactants to observe the systematical changes in their mesostructure with respect to the chain length of the co-surfactant. (paper)

  14. Preparation of mesoporous nanofibers by vapor phase synthesis: control of mesopore structures with the aid of co-surfactants

    Energy Technology Data Exchange (ETDEWEB)

    Min, Sa Hoon; Jang, Jyongsik; Lee, Kyung Jin [School of Chemical and Biological Engineering, College of Engineering, Seoul National University, Shinlimdong 56-1, Seoul, 151-742 (Korea, Republic of); Bae, Joonwon [Department of Applied Chemistry, Dongduk Women' s University, Seoul 136-714 (Korea, Republic of)

    2013-06-28

    Mesoporous nanofibers (MSNFs) can be fabricated in the pores of anodic aluminum oxide (AAO) membrane using diverse methods. Among them vapor phase synthesis (VPS) provides several advantages over sol-gel or evaporation-induced self-assembly (EISA) based methods. One powerful advantage is that we can employ multiple surfactants as structural directing agents (SDAs) simultaneously. By adopting diverse pairs of SDAs, we can control the mesopore structures, i.e. pore size, surface area, and even the morphology of mesostructures. Here, we used F127 as a main SDA, which is relatively robust (thus, difficult to change the mesopore structures), and added a series of cationic co-surfactants to observe the systematical changes in their mesostructure with respect to the chain length of the co-surfactant. (paper)

  15. Preparation of mesoporous nanofibers by vapor phase synthesis: control of mesopore structures with the aid of co-surfactants

    Science.gov (United States)

    Min, Sa Hoon; Bae, Joonwon; Jang, Jyongsik; Lee, Kyung Jin

    2013-06-01

    Mesoporous nanofibers (MSNFs) can be fabricated in the pores of anodic aluminum oxide (AAO) membrane using diverse methods. Among them vapor phase synthesis (VPS) provides several advantages over sol-gel or evaporation-induced self-assembly (EISA) based methods. One powerful advantage is that we can employ multiple surfactants as structural directing agents (SDAs) simultaneously. By adopting diverse pairs of SDAs, we can control the mesopore structures, i.e. pore size, surface area, and even the morphology of mesostructures. Here, we used F127 as a main SDA, which is relatively robust (thus, difficult to change the mesopore structures), and added a series of cationic co-surfactants to observe the systematical changes in their mesostructure with respect to the chain length of the co-surfactant.

  16. Preparation of 2-in.-diameter (001) β-Ga2O3 homoepitaxial wafers by halide vapor phase epitaxy

    Science.gov (United States)

    Thieu, Quang Tu; Wakimoto, Daiki; Koishikawa, Yuki; Sasaki, Kohei; Goto, Ken; Konishi, Keita; Murakami, Hisashi; Kuramata, Akito; Kumagai, Yoshinao; Yamakoshi, Shigenobu

    2017-11-01

    The homoepitaxial growth of thick β-Ga2O3 layers on 2-in.-diameter (001) wafers was demonstrated by halide vapor phase epitaxy. Growth rates of 3 to 4 µm/h were confirmed for growing intentionally Si-doped n-type layers. A homoepitaxial layer with an average thickness and carrier concentration of 10.9 µm and 2.7 × 1016 cm-3 showed standard deviations of 1.8 µm (16.5%) and 0.5 × 1016 cm-3 (19.7%), respectively. Ni Schottky barrier diodes fabricated directly on a 5.3-µm-thick homoepitaxial layer with a carrier concentration of 3.4 × 1016 cm-3 showed reasonable reverse and forward characteristics, i.e., breakdown voltages above 200 V and on-resistances of 3.8-7.7 mΩ cm2 at room temperature.

  17. Temperature dependence of InN growth on (0001) sapphire substrates by atmospheric pressure hydride vapor phase epitaxy

    International Nuclear Information System (INIS)

    Kumagai, Yoshinao; Adachi, Hirokazu; Otake, Aya; Higashikawa, Yoshihiro; Togashi, Rie; Murakami, Hisashi; Koukitu, Akinori

    2010-01-01

    The temperature dependence of InN growth on (0001) sapphire substrates by atmospheric pressure hydride vapor phase epitaxy (HVPE) was investigated. N-polarity single-crystal InN layers were successfully grown at temperatures ranging from 400 to 500 C. The a and c lattice constants of InN layers grown at 450 C or below were slightly larger than those of InN layers grown above 450 C due to oxygen incorporation that also increased the carrier concentration. The optical absorption edge of the InN layer decreased from above 2.0 to 0.76 eV when the growth temperature was increased from 450 to 500 C. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. A facile way to control phase of tin selenide flakes by chemical vapor deposition

    Science.gov (United States)

    Wang, Zhigang; Pang, Fei

    2018-06-01

    Although two-dimensional (2D) tin selenides are attracting intense attentions, studies on its phase transition are still relatively few. Here we report a facile way to control the phase growth of tin selenide flakes on mica and SiO2/Si by only adjusting nominal Sn:Se ratio, which refers to the amount of loaded SnO2 and Se precursors. High normal Sn:Se ratio induced SnSe flakes, conversely SnSe2 flakes formed. It could be used as a practical guide to selectively synthesize pure phase of single crystalline 2D layered chalcogenide materials similar to tin selenides.

  19. Metal-boride phase formation on tungsten carbide (WC-Co) during microwave plasma chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Johnston, Jamin M.; Catledge, Shane A., E-mail: catledge@uab.edu

    2016-02-28

    Graphical abstract: - Highlights: • A detailed phase analysis after PECVD boriding shows WCoB, CoB and/or W{sub 2}CoB{sub 2}. • EDS of PECVD borides shows boron diffusion into the carbide grain structure. • Nanoindentation hardness and modulus of borides is 23–27 GPa and 600–780 GPa. • Scratch testing shows hard coating with cracking at 40N and spallation at 70N. - Abstract: Strengthening of cemented tungsten carbide by boriding is used to improve the wear resistance and lifetime of carbide tools; however, many conventional boriding techniques render the bulk carbide too brittle for extreme conditions, such as hard rock drilling. This research explored the variation in metal-boride phase formation during the microwave plasma enhanced chemical vapor deposition process at surface temperatures from 700 to 1100 °C. We showed several well-adhered metal-boride surface layers consisting of WCoB, CoB and/or W{sub 2}CoB{sub 2} with average hardness from 23 to 27 GPa and average elastic modulus of 600–730 GPa. The metal-boride interlayer was shown to be an effective diffusion barrier against elemental cobalt; migration of elemental cobalt to the surface of the interlayer was significantly reduced. A combination of glancing angle X-ray diffraction, electron dispersive spectroscopy, nanoindentation and scratch testing was used to evaluate the surface composition and material properties. An evaluation of the material properties shows that plasma enhanced chemical vapor deposited borides formed at substrate temperatures of 800 °C, 850 °C, 900 °C and 1000 °C strengthen the material by increasing the hardness and elastic modulus of cemented tungsten carbide. Additionally, these boride surface layers may offer potential for adhesion of ultra-hard carbon coatings.

  20. Synthesis of highly dispersed platinum particles on carbon nanotubes by an in situ vapor-phase method

    Energy Technology Data Exchange (ETDEWEB)

    Mercado-Zúñiga, C. [Depto. Ing. Metalurgia y Materiales, Instituto Politecnico Nacional, Mexico 07300 D.F. (Mexico); Vargas-García, J.R., E-mail: rvargasga@ipn.mx [Depto. Ing. Metalurgia y Materiales, Instituto Politecnico Nacional, Mexico 07300 D.F. (Mexico); Hernández-Pérez, M.A. [Depto. Ing. Metalurgia y Materiales, Instituto Politecnico Nacional, Mexico 07300 D.F. (Mexico); Figueroa-Torres, M.Z. [Depto. Eco-Materiales y Energia, Univ. Autonoma de Nuevo Leon, Nuevo Leon 66450 (Mexico); Cervantes-Sodi, F. [Depto. Fisica y Matematicas, Univ. Iberoamericana, Mexico 01209 D.F. (Mexico); Torres-Martínez, L.M. [Depto. Eco-Materiales y Energia, Univ. Autonoma de Nuevo Leon, Nuevo Leon 66450 (Mexico)

    2014-12-05

    Highlights: • Highly dispersed Pt nanoparticles were prepared on functionalized carbon nanotubes. • A simple and competitive vapor-phase method was employed. • Carbonyl groups were assumed to be responsible for assisted decomposition of Pt-acac. • Pt particles were highly dispersed because carbonyl groups served as reaction sites. • Particles of 2.3 nm in size were highly dispersed even the high loading (27 wt%Pt). - Abstract: Highly dispersed Pt nanoparticles were prepared on functionalized multi-walled carbon nanotubes (f-MWCNTs) using a simple in situ vapor-phase method. The method consisted in two-step procedure in which an initial mixture of Pt precursor (Pt-acac) and f-MWCNTs was heated in a quartz tube reactor, first at 180 °C and then at 400 °C. Fourier transform infrared spectroscopy (FTIR–ATR), thermal gravimetric analysis (TGA) and X-ray diffraction (XRD) were used to follow the chemical and structural transformations of mixture components during heating steps. The functionalization of MWCNTs with HNO{sub 3}/H{sub 2}SO{sub 4} solution resulted in formation of surface carbonyl groups. The FTIR–ATR and XRD results indicated that individual Pt-acac withstood heating at 180 °C, whereas it was dissociated when heated in contact with f-MWCNTs at the same temperature. Thus, the functional carbonyl groups were found to be responsible for assisted decomposition of Pt-acac at 180 °C. Since carbonyl groups served as reaction sites for decomposition of Pt-acac, the resulting particles were highly and homogeneously dispersed on the surface of MWCNTs even the relatively high metallic loading of 27 wt%. TEM observations revealed that crystalline Pt particles exhibit narrow size distribution with a mean size of 2.3 nm.

  1. Synthesis of highly dispersed platinum particles on carbon nanotubes by an in situ vapor-phase method

    International Nuclear Information System (INIS)

    Mercado-Zúñiga, C.; Vargas-García, J.R.; Hernández-Pérez, M.A.; Figueroa-Torres, M.Z.; Cervantes-Sodi, F.; Torres-Martínez, L.M.

    2014-01-01

    Highlights: • Highly dispersed Pt nanoparticles were prepared on functionalized carbon nanotubes. • A simple and competitive vapor-phase method was employed. • Carbonyl groups were assumed to be responsible for assisted decomposition of Pt-acac. • Pt particles were highly dispersed because carbonyl groups served as reaction sites. • Particles of 2.3 nm in size were highly dispersed even the high loading (27 wt%Pt). - Abstract: Highly dispersed Pt nanoparticles were prepared on functionalized multi-walled carbon nanotubes (f-MWCNTs) using a simple in situ vapor-phase method. The method consisted in two-step procedure in which an initial mixture of Pt precursor (Pt-acac) and f-MWCNTs was heated in a quartz tube reactor, first at 180 °C and then at 400 °C. Fourier transform infrared spectroscopy (FTIR–ATR), thermal gravimetric analysis (TGA) and X-ray diffraction (XRD) were used to follow the chemical and structural transformations of mixture components during heating steps. The functionalization of MWCNTs with HNO 3 /H 2 SO 4 solution resulted in formation of surface carbonyl groups. The FTIR–ATR and XRD results indicated that individual Pt-acac withstood heating at 180 °C, whereas it was dissociated when heated in contact with f-MWCNTs at the same temperature. Thus, the functional carbonyl groups were found to be responsible for assisted decomposition of Pt-acac at 180 °C. Since carbonyl groups served as reaction sites for decomposition of Pt-acac, the resulting particles were highly and homogeneously dispersed on the surface of MWCNTs even the relatively high metallic loading of 27 wt%. TEM observations revealed that crystalline Pt particles exhibit narrow size distribution with a mean size of 2.3 nm

  2. Metal-boride phase formation on tungsten carbide (WC-Co) during microwave plasma chemical vapor deposition

    International Nuclear Information System (INIS)

    Johnston, Jamin M.; Catledge, Shane A.

    2016-01-01

    Graphical abstract: - Highlights: • A detailed phase analysis after PECVD boriding shows WCoB, CoB and/or W_2CoB_2. • EDS of PECVD borides shows boron diffusion into the carbide grain structure. • Nanoindentation hardness and modulus of borides is 23–27 GPa and 600–780 GPa. • Scratch testing shows hard coating with cracking at 40N and spallation at 70N. - Abstract: Strengthening of cemented tungsten carbide by boriding is used to improve the wear resistance and lifetime of carbide tools; however, many conventional boriding techniques render the bulk carbide too brittle for extreme conditions, such as hard rock drilling. This research explored the variation in metal-boride phase formation during the microwave plasma enhanced chemical vapor deposition process at surface temperatures from 700 to 1100 °C. We showed several well-adhered metal-boride surface layers consisting of WCoB, CoB and/or W_2CoB_2 with average hardness from 23 to 27 GPa and average elastic modulus of 600–730 GPa. The metal-boride interlayer was shown to be an effective diffusion barrier against elemental cobalt; migration of elemental cobalt to the surface of the interlayer was significantly reduced. A combination of glancing angle X-ray diffraction, electron dispersive spectroscopy, nanoindentation and scratch testing was used to evaluate the surface composition and material properties. An evaluation of the material properties shows that plasma enhanced chemical vapor deposited borides formed at substrate temperatures of 800 °C, 850 °C, 900 °C and 1000 °C strengthen the material by increasing the hardness and elastic modulus of cemented tungsten carbide. Additionally, these boride surface layers may offer potential for adhesion of ultra-hard carbon coatings.

  3. Indium tin oxide thin-films prepared by vapor phase pyrolysis for efficient silicon based solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Simashkevich, Alexei, E-mail: alexeisimashkevich@hotmail.com [Institute of Applied Physics, 5 Academiei str., Chisinau, MD-2028, Republic of Moldova (Moldova, Republic of); Serban, Dormidont; Bruc, Leonid; Curmei, Nicolai [Institute of Applied Physics, 5 Academiei str., Chisinau, MD-2028, Republic of Moldova (Moldova, Republic of); Hinrichs, Volker [Institut für Heterogene Materialsysteme, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Lise-Meitner Campus, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Rusu, Marin [Institute of Applied Physics, 5 Academiei str., Chisinau, MD-2028, Republic of Moldova (Moldova, Republic of); Institut für Heterogene Materialsysteme, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Lise-Meitner Campus, Hahn-Meitner-Platz 1, 14109 Berlin (Germany)

    2016-07-01

    The vapor phase pyrolysis deposition method was developed for the preparation of indium tin oxide (ITO) thin films with thicknesses ranging between 300 and 400 nm with the sheet resistance of 10–15 Ω/sq. and the transparency in the visible region of the spectrum over 80%. The layers were deposited on the (100) surface of the n-type silicon wafers with the charge carriers concentration of ~ 10{sup 15} cm{sup −3}. The morphology of the ITO layers deposited on Si wafers with different surface morphologies, e.g., smooth (polished), rough (irregularly structured) and textured (by inversed pyramids) was investigated. The as-deposited ITO thin films consist of crystalline columns with the height of 300–400 nm and the width of 50–100 nm. Photovoltaic parameters of mono- and bifacial solar cells of Cu/ITO/SiO{sub 2}/n–n{sup +} Si/Cu prepared on Si (100) wafers with different surface structures were studied and compared. A maximum efficiency of 15.8% was achieved on monofacial solar cell devices with the textured Si surface. Bifacial photovoltaic devices from 100 μm thick Si wafers with the smooth surface have demonstrated efficiencies of 13.0% at frontal illumination and 10% at rear illumination. - Highlights: • ITO thin films prepared by vapor phase pyrolysis on Si (100) wafers with a smooth (polished), rough (irregularly structured) and textured (by inversed pyramids) surface. • Monofacial ITO/SiO2/n-n+Si solar cells with an efficiency of 15.8% prepared and bifacial PV devices with front- and rear-side efficiencies up to 13% demonstrated. • Comparative studies of photovoltaic properties of solar cells with different morphologies of the Si wafer surface presented.

  4. 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.

  5. 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.

  6. Hydrogen

    Directory of Open Access Journals (Sweden)

    John O’M. Bockris

    2011-11-01

    Full Text Available The idea of a “Hydrogen Economy” is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO2 in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H2 from the electrolyzer. Methanol made with CO2 from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan. Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  7. 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.

  8. Non-enzymatic hydrogen peroxide detection at NiO nanoporous thin film- electrodes prepared by physical vapor deposition at oblique angles

    International Nuclear Information System (INIS)

    Salazar, Pedro; Rico, Victor; González-Elipe, Agustín R.

    2017-01-01

    Highlights: • A non-enzymatic sensor for H 2 O 2 detection based on nickel thin film is reported. • Nanostructured nickel thin films are prepared by physical vapor deposition at oblique angles. • Main analytical parameters were obtained under optimal operation conditions. • Sensors depict an outstanding selectivity and a high stability. • Sensors are successfully used to determine H 2 O 2 in antiseptic solutions. - Abstract: In this work we report a non-enzymatic sensor for hydrogen peroxide (H 2 O 2 ) detection based on nanostructured nickel thin films prepared by physical vapor deposition at oblique angles. Porous thin films deposited on ITO substrates were characterized by X-ray diffraction analysis, scanning electron microcopy (SEMs), X-ray photoelectron spectroscopy (XPS) and electrochemical techniques such as Cyclic Voltammetry (CV) and Constant Potential Amperometry (CPA). The microstructure of the thin films consisted of inclined and separated Ni nanocolumns forming a porous thin layer of about 500 nm thickness. Prior to their use, the films surface was electrochemically modified and the chemical state studied by CV and XPS analysis. These techniques also showed that Ni 2+ /Ni 3+ species were involved in the electrochemical oxidation and detection of H 2 O 2 in alkaline medium. Main analytical parameters such as sensitivity (807 mA M −1 cm −2 ), limit of detection (3.22 μM) and linear range (0.011–2.4 mM) were obtained under optimal operation conditions. Sensors depicted an outstanding selectivity and a high stability and they were successfully used to determine H 2 O 2 concentration in commercial antiseptic solutions.

  9. 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

  10. Thin films of hydrogenated amorphous carbon (a-C:H) obtained through chemical vapor deposition assisted by plasma

    International Nuclear Information System (INIS)

    Mejia H, J.A.; Camps C, E.E.; Escobar A, L.; Romero H, S.; Chirino O, S.; Muhl S, S.

    2004-01-01

    Films of hydrogenated amorphous carbon (a-C:H) were deposited using one source of microwave plasma with magnetic field (type ECR), using mixtures of H 2 /CH 4 in relationship of 80/20 and 95/05 as precursory gases, with work pressures of 4X10 -4 to 6x10 -4 Torr and an incident power of the discharge of microwaves with a constant value of 400 W. It was analyzed the influence among the properties of the films, as the deposit rate, the composition and the bonding types, and the deposit conditions, such as the flow rates of the precursory gases and the polarization voltage of the sample holders. (Author)

  11. Fast screening method for assessment of antimicrobial activity of essential oils in vapor phase

    Czech Academy of Sciences Publication Activity Database

    Klouček, P.; Šmíd, J.; Franková, A.; Kokoska, L.; Valterová, Irena; Pavela, R.

    2012-01-01

    Roč. 47, č. 2 (2012), s. 161-165 ISSN 0963-9969 Grant - others:GA ČR(CZ) GP525/09/P503 Institutional research plan: CEZ:AV0Z40550506 Keywords : antibacterial * gas phase * antifungal * fumigation Subject RIV: CC - Organic Chemistry Impact factor: 3.005, year: 2012

  12. Calculation of Liquid Water-Hydrate-Methane Vapor Phase Equilibria from Molecular Simulations

    DEFF Research Database (Denmark)

    Jensen, Lars; Thomsen, Kaj; von Solms, Nicolas

    2010-01-01

    using the TIP4P/ice potential and a united-atom Lennard-Jones potential. respectively. The equilibrium calculation method for this system has three components, (i) thermodynamic integration from a supercritical ideal gas to obtain the fluid-phase chemical potentials. (ii) calculation of the chemical...

  13. 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.)

  14. Hydrogen isotope ratios of terrestrial leaf wax n-alkanes from the Tibetan Plateau: Controls on apparent enrichment factors, effect of vapor sources and implication for altimetry

    Science.gov (United States)

    Zhang, Xiaolong; Xu, Baiqing; Günther, Franziska; Mügler, Ines; Lange, Markus; Zhao, Huabiao; Li, Jiule; Gleixner, Gerd

    2017-08-01

    Empirical evidence suggested that the altitudinal dependence of hydrogen isotope ratios of leaf wax n-alkanes (δDwax) can be used to estimate paleoaltitudinal changes. However, the application of δDwax-based paleoaltimetry remains difficult, as the impacts of evaporative, transpirative and biosynthetic processes on hydrogen isotope fractionations in changing environments and the influence of likely changing water vapor sources are not well explored. For this study, we sampled stream waters, soils and plant leaves along two transects spanning large gradients of altitude, precipitation amount, vapor source, temperature and vegetation type on the Tibetan Plateau (TP). δD values of stream water (as an approximation for δDp), soil water (δDsw) and plant leaf water (δDlw) as well as leaf wax n-alkanes were measured in order to quantify isotopic fractionations in the formation of leaf waxes. Most interestingly, we found a strong negative correlation between the evapotranspirative enrichment of leaf water against precipitation (εlw-p), which combines the effects of soil evaporation and leaf transpiration, and the biosynthetic hydrogen isotope fractionation (εwax-lw), which describes isotopic enrichment between leaf wax and leaf water. The relationship yields a steady apparent isotopic enrichment factor (εwax-p) between leaf wax and precipitation, which is independent from climatic parameters and has an average value of -107 ± 26‰ for grasses (monocotyledons) and -77 ± 22‰ for trees (dicotyledons). Since the terrestrial n-alkanes, especially n-C27 and n-C29, in sediments are derived from trees and grasses, the likely change of the vegetation type in the uplift of mountains can change the isotopic estimates by about ±30‰, which corresponds to an altitudinal change of ∼1600 m. We, therefore, suggest that hydrogen isotope ratio of sedimentary n-C31 alkane, which is mainly derived from grasses might be better proxies to reconstruct paleoaltitudes. Our large

  15. Metal organic vapor phase epitaxy growth of (Al)GaN heterostructures on SiC/Si(111) templates synthesized by topochemical method of atoms substitution

    DEFF Research Database (Denmark)

    Rozhavskaya, Mariia M.; Kukushkin, Sergey A.; Osipov, Andrey V.

    2017-01-01

    We report a novel approach for metal organic vapor phase epitaxy of (Al)GaN heterostructures on Si substrates. An approximately 90–100 nm thick SiC buffer layer is synthesized using the reaction between Si substrate and CO gas. Highresolution transmission electron microscopy reveals sharp...

  16. 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

    2004-09-11

    This report summarizes work performed on this project from April 2004 through September 2004. Our previous work demonstrated that a polyurethane foam biofilter could successfully biodegrade the BTEX contaminants found in the SMZ regeneration waste gas stream. However, establishing the biomass on the polyurethane foam packing was relatively time consuming and daily recirculation of a concentrated nutrient solution was required for efficient operation of the foam biofilter. To simplify the start up and operating requirements of the biofilter system, a simple, compost-based biofilter was investigated for its ability to treat the BTEX contaminants generated during the SMZ regeneration process. The investigation of the compost biofilter was divided into three experimental phases that spanned 180 days of biofilter operation. During Phase 1, the biofilter was continuously supplied a BTEX-contaminated waste gas stream. During Phase 2, a series of periodic shutdown tests were conducted to assess how the biofilter responded when the BTEX feed was discontinued for periods ranging from 1 day to 2.8 days. The Phase 3 experiments focused on determining how the biofilter would handle periodic spikes in inlet BTEX concentration as would be expected when it is coupled with an SMZ column. Results from the continuous feed (Phase 1) experiments demonstrated that the compost biofilter could maintain BTEX removals of greater than 98% within two weeks of startup. Results of the shutdown experiments indicated that benzene removal was the most sensitive to interruptions in the BTEX feed. Nevertheless, the BTEX removal efficiency exceeded 95% within 6 hours of reestablishing the BTEX feed to the biofilter. When the biofilter was subjected to periodic spikes in BTEX concentration (Phase 3), it was found that the total BTEX removal efficiency stabilized at approximately 75% despite the fact that the biofilter was only fed BTEX contaminants 8 hours per day. Finally, the effects of nutrient

  17. Secondary phase formation and the microstructural evolution of surface layers during vapor phase alteration of the French SON 68 nuclear waste glass at 200 degrees C

    International Nuclear Information System (INIS)

    Gong, W.L.; Ewing, R.C.; Wang, L.M.

    1995-01-01

    The SON 68 inactive open-quotes R7T7close quotes composition is the French reference glass for the LWR nuclear waste glass. Vapor phase alteration was used to accelerate the reaction progress of glass corrosion and to develop the characteristic suite of secondary, alteration phases. Extensive solid-state characterization (AEM/SEM/HRTEM) was completed on six inactive R7T7 waste glasses which were altered in the presence of saturated water vapor (200 degrees C) for 91, 241, 908, 1000, 1013, and 1021 days. The AEM samples were examined in cross-section (lattice-fringe imaging, micro-diffraction, and quantitative thin-film EDS analysis). The glass monoliths were invariably covered with a thin altered rind. The layer became thicker with time: 0.5 μm for 22 days; 4 μm for 91 days; 6 μm for 241 days; 10 μm for 908 days; 26 μm for 1013 days; and 2 TeO 3 and (Ca,Sr)Mo 3 O 9 (OH) 2 , were found within the inner zones of surface layers, and they must have nucleated in situ, indicating that Ag, Te, Sr, and Mo can be retained within the surface layer. The majority of the surface layer volume is composed of two morphologically and chemically different structures: one consists of well-crystallized fibrous smectite aggregates occurring along with cavities, the A-domain; and the other consists of poorly-crystallized regions containing needle-like smectite (montmorillonite) crystallites, a silica-rich amorphous matrix, and possibly ZrO 2 particles, the B-domain

  18. Effect of hydrogen on passivation quality of SiNx/Si-rich SiNx stacked layers deposited by catalytic chemical vapor deposition on c-Si wafers

    International Nuclear Information System (INIS)

    Thi, Trinh Cham; Koyama, Koichi; Ohdaira, Keisuke; Matsumura, Hideki

    2015-01-01

    We investigate the role of hydrogen content and fixed charges of catalytic chemical vapor deposited (Cat-CVD) SiN x /Si-rich SiN x stacked layers on the quality of crystalline silicon (c-Si) surface passivation. Calculated density of fixed charges is on the order of 10 12 cm −2 , which is high enough for effective field effect passivation. Hydrogen content in the films is also found to contribute significantly to improvement in passivation quality of the stacked layers. Furthermore, Si-rich SiN x films deposited with H 2 dilution show better passivation quality of SiN x /Si-rich SiN x stacked layers than those prepared without H 2 dilution. Effective minority carrier lifetime (τ eff ) in c-Si passivated by SiN x /Si-rich SiN x stacked layers is as high as 5.1 ms when H 2 is added during Si-rich SiN x deposition, which is much higher than the case of using Si-rich SiN x films prepared without H 2 dilution showing τ eff of 3.3 ms. - Highlights: • Passivation mechanism of Si-rich SiN x /SiN x stacked layers is investigated. • H atoms play important role in passivation quality of the stacked layer. • Addition of H 2 gas during Si-rich SiN x film deposition greatly enhances effective minority carrier lifetime (τ eff ). • For a Si-rich SiN x film with refractive index of 2.92, τ eff improves from 3.3 to 5.1 ms by H 2 addition

  19. 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.

  20. Organic-inorganic field effect transistor with SnI-based perovskite channel layer using vapor phase deposition technique

    Science.gov (United States)

    Matsushima, Toshinori; Yasuda, Takeshi; Fujita, Katsuhiko; Tsutsui, Tetsuo

    2003-11-01

    High field-effect hole mobility of (formula available in paper)and threshold voltage is -3.2 V) in organic-inorganic layered perovskite film (formula available in paper)prepared by a vapor phase deposition technique have been demonstrated through the octadecyltrichlorosilane treatment of substrate. Previously, the (formula available in paper)films prepared on the octadecyltrichlorosilane-covered substrates using a vapor evaporation showed not only intense exciton absorption and photoluminescence in the optical spectroscopy but also excellent crystallinity and large grain structure in X-ray and atomic force microscopic studies. Especially, the (formula available in paper)structure in the region below few nm closed to the surface of octadecyltrichlorosilane monolayer was drastically improved in comparison with that on the non-covered substrate. Though our initial (formula available in paper)films via a same sequence of preparation of (formula available in paper)and octadecyltrichlorosilane monolayer did not show the field-effect properties because of a lack of spectral, structural, and morphological features. The unformation of favorable (formula available in paper)structure in the very thin region, that is very important for the field-effect transistors to transport electrons or holes, closed to the surface of non-covered (formula available in paper)dielectric layer was also one of the problems for no observation of them. By adding further optimization and development, such as deposition rate of perovskite, substrate heating during deposition, and tuning device architecture, with hydrophobic treatment, the vacuum-deposited (formula available in paper)have achieved above-described high performance in organic-inorganic hybrid transistors.

  1. 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.

  2. 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

  3. The phase diagram of solid hydrogen at high pressure: A challenge for first principles calculations

    Science.gov (United States)

    Azadi, Sam; Foulkes, Matthew

    2015-03-01

    We present comprehensive results for the high-pressure phase diagram of solid hydrogen. We focus on the energetically most favorable molecular and atomic crystal structures. To obtain the ground-state static enthalpy and phase diagram, we use semi-local and hybrid density functional theory (DFT) as well as diffusion quantum Monte Carlo (DMC) methods. The closure of the band gap with increasing pressure is investigated utilizing quasi-particle many-body calculations within the GW approximation. The dynamical phase diagram is calculated by adding proton zero-point energies (ZPE) to static enthalpies. Density functional perturbation theory is employed to calculate the proton ZPE and the infra-red and Raman spectra. Our results clearly demonstrate the failure of DFT-based methods to provide an accurate static phase diagram, especially when comparing insulating and metallic phases. Our dynamical phase diagram obtained using fully many-body DMC calculations shows that the molecular-to-atomic phase transition happens at the experimentally accessible pressure of 374 GPa. We claim that going beyond mean-field schemes to obtain derivatives of the total energy and optimize crystal structures at the many-body level is crucial. This work was supported by the UK engineering and physics science research council under Grant EP/I030190/1, and made use of computing facilities provided by HECTOR, and by the Imperial College London high performance computing centre.

  4. 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.

  5. 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.

  6. A review of theoretical study of graphene chemical vapor deposition synthesis on metals: nucleation, growth, and the role of hydrogen and oxygen

    Science.gov (United States)

    Rezwan Habib, Mohammad; Liang, Tao; Yu, Xuegong; Pi, Xiaodong; Liu, Yingchun; Xu, Mingsheng

    2018-03-01

    Graphene has attracted intense research interest due to its extraordinary properties and great application potential. Various methods have been proposed for the synthesis of graphene, among which chemical vapor deposition has drawn a great deal of attention for synthesizing large-area and high-quality graphene. Theoretical understanding of the synthesis mechanism is crucial for optimizing the experimental design for desired graphene production. In this review, we discuss the three fundamental steps of graphene synthesis in details, i.e. (1) decomposition of carbon feedstocks and formation of various active carbon species, (2) nucleation, and (3) attachment and extension. We provide a complete scenario of graphene synthesis on metal surfaces at atomistic level by means of density functional theory, molecular dynamics (MD), Monte Carlo (MC) and their combination and interface with other simulation methods such as quantum mechanical molecular dynamics, density functional tight binding molecular dynamics, and combination of MD and MC. We also address the latest investigation of the influences of the hydrogen and oxygen on the synthesis and the quality of the synthesized graphene.

  7. The influence of charge effect on the growth of hydrogenated amorphous silicon by the hot-wire chemical vapor deposition technique

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Q.; Nelson, B.P.; Iwaniczko, E.; Mahan, A.H.; Crandall, R.S.; Benner, J. [National Renewable Energy Lab., Golden, CO (United States)

    1998-09-01

    The authors observe at lower substrate temperatures that the scatter in the dark conductivity on hydrogenated amorphous silicon (a-Si:H) films grown on insulating substrates (e.g., Corning 7059 glass) by the hot-wire chemical vapor deposition technique (HWCVD) can be five orders of magnitude or more. This is especially true at deposition temperatures below 350 C. However, when the authors grow the same materials on substrates with a conductive grid, virtually all of their films have acceptable dark conductivity (< 5 {times} 10{sup {minus}10} S/cm) at all deposition temperatures below 425 C. This is in contrast to only about 20% of the materials grown in this same temperature range on insulating substrates having an acceptable dark conductivity. The authors estimated an average energy of 5 eV electrons reaching the growing surface in vacuum, and did additional experiments to see the influence of both the electron flux and the energy of the electrons on the film growth. Although these effects do not seem to be important for growing a-Si:H by HWCVD on conductive substrates, they help better understand the important parameters for a-Si:H growth, and thus, to optimize these parameters in other applications of HWCVD technology.

  8. 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.

  9. 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

  10. A model for arsenic anti-site incorporation in GaAs grown by hydride vapor phase epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Schulte, K. L.; Kuech, T. F. [Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States)

    2014-12-28

    GaAs growth by hydride vapor phase epitaxy (HVPE) has regained interest as a potential route to low cost, high efficiency thin film photovoltaics. In order to attain the highest efficiencies, deep level defect incorporation in these materials must be understood and controlled. The arsenic anti-site defect, As{sub Ga} or EL2, is the predominant deep level defect in HVPE-grown GaAs. In the present study, the relationships between HVPE growth conditions and incorporation of EL2 in GaAs epilayers were determined. Epitaxial n-GaAs layers were grown under a wide range of deposition temperatures (T{sub D}) and gallium chloride partial pressures (P{sub GaCl}), and the EL2 concentration, [EL2], was determined by deep level transient spectroscopy. [EL2] agreed with equilibrium thermodynamic predictions in layers grown under conditions in which the growth rate, R{sub G}, was controlled by conditions near thermodynamic equilibrium. [EL2] fell below equilibrium levels when R{sub G} was controlled by surface kinetic processes, with the disparity increasing as R{sub G} decreased. The surface chemical composition during growth was determined to have a strong influence on EL2 incorporation. Under thermodynamically limited growth conditions, e.g., high T{sub D} and/or low P{sub GaCl}, the surface vacancy concentration was high and the bulk crystal was close to equilibrium with the vapor phase. Under kinetically limited growth conditions, e.g., low T{sub D} and/or high P{sub GaCl}, the surface attained a high GaCl coverage, blocking As adsorption. This competitive adsorption process reduced the growth rate and also limited the amount of arsenic that incorporated as As{sub Ga}. A defect incorporation model which accounted for the surface concentration of arsenic as a function of the growth conditions, was developed. This model was used to identify optimal growth parameters for the growth of thin films for photovoltaics, conditions in which a high growth rate and low [EL2] could be

  11. Hydrogen-permeable TiO{sub 2}/SiO{sub 2} membranes formed by chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Ha, Heung Yong; Nam, Suk Woo; Yoon, Sung Pil [Korea Institute of Science and Technology, Seoul (Korea, Republic of)] [and others

    1994-12-31

    Thin films of TiO{sub 2}/SiO{sub 2} were deposited on the inner surface of the porous support tubes by the decomposition of tetraisopropyl titanate (TIPT) and tetraethyl orthosilicate (TEOS) at atmospheric pressure. Dense and hydrogen-permeable membranes were formed at 400-600{degrees}C. The permeation rate of H{sub 2} through the membrane at 600{degrees}C was about 0.3 cm{sup 3}(STP)/min-cm{sup 2}-atm and H{sub 2}/N{sub 2} permeation ratio was above 1000. The permeation properties of the membranes were investigated at various deposition temperatures and TIPT/TEOS concentrations. Decomposition of TIPT alone at temperatures above 400{degrees}C produced porous crystalline TiO{sub 2} films which were not H{sub 2}-selective. Decomposition of TEOS, however produced H{sub 2}-permeable SiO{sub 2} films at 400-600{degrees}C but film deposition rate was very low. Addition of TIPT to the TEOS stream significantly accelerated the deposition rate and produced highly H{sub 2}-selective films. Increasing the TEPT/TEOS ratios increased the deposition rate. The TiO{sub 2}/SiO{sub 2} membranes have the permeation properties comparable to those of SiO{sub 2} membranes. The TiO{sub 2}/SiO{sub 2} membranes were stable and did not show significant densification during the treatment at high temperature.

  12. Wave-mixing-induced transparency with zero phase shift in atomic vapors

    Science.gov (United States)

    Zhou, F.; Zhu, C. J.; Li, Y.

    2017-12-01

    We present a wave-mixing induced transparency that can lead to a hyper-Raman gain-clamping effect. This new type of transparency is originated from a dynamic gain cancellation effect in a multiphoton process where a highly efficient light field of new frequency is generated and amplified. We further show that this novel dynamic gain cancellation effect not only makes the medium transparent to a probe light field at appropriate frequency but also eliminates the probe field propagation phase shift. This gain-cancellation-based induced transparency holds for many potential applications on optical communication and may lead to effective suppression of parasitic Raman/hyper-Raman noise field generated in high intensity optical fiber transmissions.

  13. Kinetics of solid-phase in ion exchange on tin hydrogen phosphate

    International Nuclear Information System (INIS)

    Kislitsyn, M.N.; Ketsko, V.A.; Yaroslavtsev, A.B.

    2004-01-01

    Solid state reactions in mixture of tin hydrogen phosphate and alkali metal (M=Na, K, Cs) chlorides have been studied both in the mode of polythermal heating and at a fixed temperature, using data of X-ray phase and thermogravimetric analyses. In the range 400-750 Deg C solid state ion exchange reactions occur in the systems studied and yield mono-- and dialkali phosphates MHSn(PO 4 ) 2 and M 2 Sn(PO 4 ) 2 . Counter diffusion coefficients for alkali metal cations and protons in the matrices of compositions MHSn(PO 4 ) 2 and M 2 Sn(PO 4 ) 2 have been determined [ru

  14. 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

  15. Study of the Vapor Phase Over Fusarium Fungi Cultured on Various Substrates.

    Science.gov (United States)

    Savelieva, Elena I; Gustyleva, Liudmila K; Kessenikh, Elizaveta D; Khlebnikova, Natalya S; Leffingwell, John; Gavrilova, Olga P; Gagkaeva, Tatiana Yu

    2016-07-01

    The compositions of volatile organic compounds (VOCs) emitted by Fusarium fungi (F. langsethiae, F. sibiricum, F. poae, and F. sporotrichioides) grown on two nutritive substrates: potato sucrose agar (PSA) and autoclaved wheat kernels (WK) were investigated. The culturing of fungi and study of their VOC emissions were performed in chromatographic vials at room temperature (23 - 24 °C) and the VOCs were sampled by a solid-phase microextraction on a 85 μm carboxen/polydimethylsiloxane fiber. GC/MS was performed using a 60-m HP-5 capillary column. Components of the VOC mixture were identified by electron impact mass spectra and chromatographic retention indices (RIs). The most abundant components of the VOC mixture emitted by Fusarium fungi are EtOH, AcOH, (i) BuOH, 3-methylbutan-1-ol, 2-methylbutan-1-ol, ethyl 3-methylbutanoate, terpenes with M 136, sesquiterpenes with M 204 (a total of about 25), and trichodiene. It was found that the strains grown on PSA emit a wider spectrum and larger amount of VOCs compared with those grown on wheat kernels. F. langsethiae strain is the most active VOC producer on both substrates. The use of SPME and GC/MS also offers the potential for differentiation of fungal species and strains. © 2016 Wiley-VHCA AG, Zürich.

  16. Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds and Ionic Liquids. Sublimation, Vaporization, and Fusion Enthalpies from 1880 to 2015. Part 2. C11-C192

    Science.gov (United States)

    Acree, William; Chickos, James S.

    2017-03-01

    The second part of this compendium concludes with a collection of phase change enthalpies of organic molecules inclusive of C11-C192 reported over the period 1880-2015. Also included are phase change enthalpies including fusion, vaporization, and sublimation enthalpies for organometallic, ionic liquids, and a few inorganic compounds. Paper I of this compendium, published separately, includes organic compounds from C1 to C10 and describes a group additivity method for evaluating solid, liquid, and gas phase heat capacities as well as temperature adjustments of phase changes. Paper II of this compendium also includes an updated version of a group additivity method for evaluating total phase change entropies which together with the fusion temperature can be useful in estimating total phase change enthalpies. Other uses include application in identifying potential substances that either form liquid or plastic crystals or exhibit additional phase changes such as undetected solid-solid transitions or behave anisotropically in the liquid state.

  17. Germanium diffusion with vapor-phase GeAs and oxygen co-incorporation in GaAs

    Science.gov (United States)

    Wang, Wei-Fu; Cheng, Kai-Yuan; Hsieh, Kuang-Chien

    2018-01-01

    Vapor-phase germanium diffusion has been demonstrated in Zn-doped and semi-insulating GaAs in sealed ampoules with GeAs powders and excess arsenic. Secondary-ion-mass spectroscopy (SIMS) profiles indicate the presence of unintentional co-incorporation of oxygen in high densities (>1017/cm3) along with diffused germanium donors whose concentration (>>1018/cm3) determined by electro-chemical capacitance-voltage (ECV) profiler shows significant compensation near the surface. The source of oxygen mainly originates from the GeAs powder which contains Ge-O surface oxides. Variable-temperature photoluminescence (PL) shows that in GeAs-diffused samples, a broad peak ranging from 0.86-1.38 eV with the peak position around 1.1 eV predominates at low temperatures while the near band-edge luminescence quenches. The broad band is attributed to the GeGa-VGa self-activated (SA) centers possibly associated with nearby oxygen-related defect complex, and its luminescence persists up to 400 K. The configurational-coordinate modeling finds that the SA defect complex has a thermal activation energy of 150-180 meV and a vibrational energy 26.8 meV. The presence of oxygen does not much affect the SA emission intensity but may have influenced the peak position, vibration frequency and activation energy as compared to other common donor-VGa defects in GaAs.

  18. Evaluation of cinnamon essential oil microemulsion and its vapor phase for controlling postharvest gray mold of pears (Pyrus pyrifolia).

    Science.gov (United States)

    Wang, Yifei; Zhao, Ruipeng; Yu, Ling; Zhang, Yunbin; He, Yan; Yao, Jie

    2014-03-30

    Essential oil of cinnamon (CM) is a potential alternative to chemical fungicides. Thus this work aimed to investigate the possible effects of CM microemulsions on decay developments and qualitative properties of pears. The decay incidence of samples treated with 500 µg L⁻¹ microemulsion was significantly reduced by 18.7% in comparison to that of 500 µg L⁻¹ non-microemulsion after 4 days' storage at 20 °C. In the vapor phase, the CM microemulsion with the lowest concentration had the best control for decay incidence and lesion diameter. The interval between inoculations also influenced decay development. Pears treated with Botrytis cinerea and immediately followed by CM microemulsion showed the lowest decay incidence. Moreover, in the natural decay experiment, the percentage of rotted pears was 3.8% in the CM microemulsion treatment and 5.8% in the control. CM microemulsion delayed the loss of ascorbic acid, yet it had no significant influence on pear qualities such as firmness and color. CM microemulsion may be an alternative way to control the gray mold of pears without a negative influence on its qualities. © 2013 Society of Chemical Industry.

  19. Optical properties of C-doped bulk GaN wafers grown by halide vapor phase epitaxy

    International Nuclear Information System (INIS)

    Khromov, S.; Hemmingsson, C.; Monemar, B.; Hultman, L.; Pozina, G.

    2014-01-01

    Freestanding bulk C-doped GaN wafers grown by halide vapor phase epitaxy are studied by optical spectroscopy and electron microscopy. Significant changes of the near band gap (NBG) emission as well as an enhancement of yellow luminescence have been found with increasing C doping from 5 × 10 16 cm −3 to 6 × 10 17 cm −3 . Cathodoluminescence mapping reveals hexagonal domain structures (pits) with high oxygen concentrations formed during the growth. NBG emission within the pits even at high C concentration is dominated by a rather broad line at ∼3.47 eV typical for n-type GaN. In the area without pits, quenching of the donor bound exciton (DBE) spectrum at moderate C doping levels of 1–2 × 10 17 cm −3 is observed along with the appearance of two acceptor bound exciton lines typical for Mg-doped GaN. The DBE ionization due to local electric fields in compensated GaN may explain the transformation of the NBG emission

  20. Investigation of nucleation kinetics in H2SO4 vapor through modeling of gas phase kinetics coupled with particle dynamics

    Science.gov (United States)

    Carlsson, Philip T. M.; Zeuch, Thomas

    2018-03-01

    We have developed a new model utilizing our existing kinetic gas phase models to simulate experimental particle size distributions emerging in dry supersaturated H2SO4 vapor homogeneously produced by rapid oxidation of SO2 through stabilized Criegee-Intermediates from 2-butene ozonolysis. We use a sectional method for simulating the particle dynamics. The particle treatment in the model is based on first principles and takes into account the transition from the kinetic to the diffusion-limited regime. It captures the temporal evolution of size distributions at the end of the ozonolysis experiment well, noting a slight underrepresentation of coagulation effects for larger particle sizes. The model correctly predicts the shape and the modes of the experimentally observed particle size distributions. The predicted modes show an extremely high sensitivity to the H2SO4 evaporation rates of the initially formed H2SO4 clusters (dimer to pentamer), which were arbitrarily restricted to decrease exponentially with increasing cluster size. In future, the analysis presented in this work can be extended to allow a direct validation of quantum chemically predicted stabilities of small H2SO4 clusters, which are believed to initiate a significant fraction of atmospheric new particle formation events. We discuss the prospects and possible limitations of the here presented approach.

  1. Determination of methyl mercury by aqueous phase Eehylation, followed by gas chromatographic separation with cold vapor atomic fluorescence detection

    Science.gov (United States)

    De Wild, John F.; Olsen, Mark L.; Olund, Shane D.

    2002-01-01

    A recent national sampling of streams in the United States revealed low methyl mercury concentrations in surface waters. The resulting median and mean concentrations, calculated from 104 samples, were 0.06 nanograms per liter (ng/L) and 0.15 ng/L, respectively. This level of methyl mercury in surface water in the United States has created a need for analytical techniques capable of detecting sub-nanogram per liter concentrations. In an attempt to create a U.S. Geological Survey approved method, the Wisconsin District Mercury Laboratory has adapted a distillation/ethylation/ gas-phase separation method with cold vapor atomic fluorescence spectroscopy detection for the determination of methyl mercury in filtered and unfiltered waters. This method is described in this report. Based on multiple analyses of surface water and ground-water samples, a method detection limit of 0.04 ng/L was established. Precision and accuracy were evaluated for the method using both spiked and unspiked ground-water and surface-water samples. The percent relative standard deviations ranged from 10.2 to 15.6 for all analyses at all concentrations. Average recoveries obtained for the spiked matrices ranged from 88.8 to 117 percent. The precision and accuracy ranges are within the acceptable method-performance limits. Considering the demonstrated detection limit, precision, and accuracy, the method is an effective means to quantify methyl mercury in waters at or below environmentally relevant concentrations

  2. Germanium diffusion with vapor-phase GeAs and oxygen co-incorporation in GaAs

    Directory of Open Access Journals (Sweden)

    Wei-Fu Wang

    2018-01-01

    Full Text Available Vapor-phase germanium diffusion has been demonstrated in Zn-doped and semi-insulating GaAs in sealed ampoules with GeAs powders and excess arsenic. Secondary-ion-mass spectroscopy (SIMS profiles indicate the presence of unintentional co-incorporation of oxygen in high densities (>1017/cm3 along with diffused germanium donors whose concentration (>>1018/cm3 determined by electro-chemical capacitance-voltage (ECV profiler shows significant compensation near the surface. The source of oxygen mainly originates from the GeAs powder which contains Ge-O surface oxides. Variable-temperature photoluminescence (PL shows that in GeAs-diffused samples, a broad peak ranging from 0.86-1.38 eV with the peak position around 1.1 eV predominates at low temperatures while the near band-edge luminescence quenches. The broad band is attributed to the GeGa-VGa self-activated (SA centers possibly associated with nearby oxygen-related defect complex, and its luminescence persists up to 400 K. The configurational-coordinate modeling finds that the SA defect complex has a thermal activation energy of 150-180 meV and a vibrational energy 26.8 meV. The presence of oxygen does not much affect the SA emission intensity but may have influenced the peak position, vibration frequency and activation energy as compared to other common donor-VGa defects in GaAs.

  3. Growth and optical characteristics of Tm-doped AlGaN layer grown by organometallic vapor phase epitaxy

    Science.gov (United States)

    Takatsu, J.; Fuji, R.; Tatebayashi, J.; Timmerman, D.; Lesage, A.; Gregorkiewicz, T.; Fujiwara, Y.

    2018-04-01

    We report on the growth and optical properties of Tm-doped AlGaN layers by organometallic vapor phase epitaxy (OMVPE). The morphological and optical properties of Tm-doped GaN (GaN:Tm) and Tm-doped AlGaN (AlGaN:Tm) were investigated by Nomarski differential interference contrast microscopy and photoluminescence (PL) characterization. Nomarski images reveal an increase of surface roughness upon doping Tm into both GaN and AlGaN layers. The PL characterization of GaN:Tm shows emission in the near-infrared range originating from intra-4f shell transitions of Tm3+ ions. In contrast, AlGaN:Tm also exhibits blue light emission from Tm3+ ions. In that case, the wider band gap of the AlGaN host allows energy transfer to higher states of the Tm3+ ions. With time-resolved PL measurements, we could distinguish three types of luminescent sites of Tm3+ in the AlGaN:Tm layer, having different decay times. Our results confirm that Tm ions can be doped into GaN and AlGaN by OMVPE, and show potential for the fabrication of novel high-color-purity blue light emitting diodes.

  4. Effect of gas flow on the selective area growth of gallium nitride via metal organic vapor phase epitaxy

    Science.gov (United States)

    Rodak, L. E.; Kasarla, K. R.; Korakakis, D.

    2007-08-01

    The effect of gas flow on the selective area growth (SAG) of gallium nitride (GaN) grown via metal organic vapor phase epitaxy (MOVPE) has been investigated. In this study, the SAG of GaN was carried out on a silicon dioxide striped pattern along the GaN direction. SAG was initiated with the striped pattern oriented parallel and normal to the incoming gas flow in a horizontal reactor. The orientation of the pattern did not impact cross section of the structure after re-growth as both orientations resulted in similar trapezoidal structures bounded by the (0 0 0 1) and {1 1 2¯ n} facets ( n≈1.7-2.2). However, the growth rates were shown to depend on the orientation of the pattern as the normally oriented samples exhibited enhanced vertical and cross-sectional growth rates compared to the parallel oriented samples. All growths occurred under identical conditions and therefore the difference in growth rates must be attributed to a difference in mass transport of species.

  5. Vapor phase epitaxy of silicon on meso porous silicon for deposition on economical substrate and low cost photovoltaic application

    International Nuclear Information System (INIS)

    Quoizola, S.

    2003-01-01

    The silicon is more and more used in the industry. Meanwhile the production cost is a problem to solve to develop the photovoltaic cells production. This thesis presents a new technology based on the use of a meso-porous silicon upper layer,to grow the active silicon layer of 50 μm width. The photovoltaic cell is then realized, the device is removed and placed on a low cost substrate. The silicon substrate of beginning can be used again after cleaning. The first chapter presents the operating and the characteristics of the silicon photovoltaic cell. The second chapter is devoted to the growth technique, the vapor phase epitaxy, and the third chapter to the epitaxy layer. The chapter four deals with the porous silicon and the structure chosen in this study. The chapter five is devoted to the characterization of the epitaxy layer on porous silicon. The photovoltaic cells realized on these layers are presented in the last chapter. (A.L.B.)

  6. Effect of algal growth phase on Aureococcus anophagefferens susceptibility to hydrogen peroxide

    International Nuclear Information System (INIS)

    Randhawa, Varunpreet; Thakkar, Megha; Wei, Liping

    2013-01-01

    Highlights: •Brown tide alga's susceptibility to H 2 O 2 was examined via growth and physiology responses. •The study was designed equalizing the influence of the media and cell density in test cultures. •Stationary cells was more sensitive to H 2 O 2 than exponential cells. •Stationary cells showed weaker non-protein thiol up-regulation than exponential cells. •Stationary cells mediated greater H 2 O 2 decomposition than exponential cells did. -- Abstract: A cell's growth phase could affect its susceptibility to a biocide in microbial control. This study examines the growth phase dependent susceptibility of a brown tide bloom alga Aureococcus anophagefferens to microbial biocide hydrogen peroxide (H 2 O 2 ). Test cultures of A. anophagefferens cells in exponential and stationary growth phase and similar initial cell density (1.6 × 10 6 cells mL −1 ) were exposed to 0.4–1.6 mg L −1 H 2 O 2 . Changes in algal growth (in vivo fluorescence, total chlorophyll a, and cell density), cell physiology (maximum quantum yield of photosystem II, and total intracellular non-protein thiols), and H 2 O 2 decomposition were quantified. Results show that the stationary phase cells are more susceptible to H 2 O 2 than the exponential phase cells, and this is attributed to the weaker ROS (reactive oxygen species) scavenging system and consequently greater cell damage in stationary phase cells. The stationary phase cells potentially require 30–40% less H 2 O 2 to reach 90% removal within 12 h of treatment as compared to the exponential phase cells. The results have practical implications in brown tide bloom control with respect to the timing and the dosage of H 2 O 2 application

  7. Hypersensitivity of mouse NEIL1-knockdown cells to hydrogen peroxide during S phase

    International Nuclear Information System (INIS)

    Yamamoto, Ryohei; Ohshiro, Yukari; Shimotani, Tatsuhiko; Yamamoto, Mizuki; Matsuyama, Satoshi; Ide, Hiroshi; Kubo, Kihei

    2014-01-01

    Oxidative base damage occurs spontaneously due to reactive oxygen species generated as byproducts of respiration and other pathological processes in mammalian cells. Many oxidized bases are mutagenic and/or toxic, and most are repaired through the base excision repair pathway. Human endonuclease VIII-like protein 1 (hNEIL1) is thought to play an important role during the S phase of the cell cycle by removing oxidized bases in DNA replication fork-like (bubble) structures, and the protein level of hNEIL1 is increased in S phase. Compared with hNEIL1, there is relatively little information on the properties of the mouse ortholog mNEIL1. Since mouse cell nuclei lack endonuclease III-like protein (NTH) activity, in contrast to human cell nuclei, mNEIL1 is a major DNA glycosylase for repair of oxidized pyrimidines in mouse nuclei. In this study, we made mNEIL1-knockdown cells using an shRNA expression vector and examined the cell cycle-related variation in hydrogen peroxide (H 2 O 2 ) sensitivity. Hypersensitivity to H 2 O 2 caused by mNEIL1 knockdown was more significant in S phase than in G1 phase, suggesting that mNEIL1 has an important role during S phase, similarly to hNEIL1

  8. Phase transition and intramolecular hydrogen bonding in nitro derivatives of ortho-hydroxy acetophenones

    Science.gov (United States)

    Filarowski, A.; Kochel, A.; Koll, A.; Bator, G.; Mukherjee, S.

    2006-03-01

    The crystal structures of two ortho-hydroxy aryl ketones (5-chloro-3-nitro-2-hydroxyacetophenone, 5-methyl-3-nitro-2-hydroxyacetophenone and the complex 5-chloro-3-nitro-2-hydroxyacetophenone with 2-aminobenzoic acid (anthranilic acid)) were determined by X-ray diffraction. The existence of an intramolecular hydrogen bond of enol character between the hydroxyl and acetyl groups was found by the X-ray method. The enol character was also confirmed by DFT (B3LYP/6-31+G(d,p)) calculations. A phase transition was found at 138 K in 5-chloro-3-nitro-2-hydroxyacetophenone. This phase transition was investigated by differential scanning calorimetry (DSC), dilatometry, and the dielectric method. A study of the nitro-group dynamics in the ortho-hydroxy acetophenones was carried out with DFT (B3LYP/6-31+G(d,p)) calculations.

  9. A mechanistic study on the reaction pathways leading to benzene and naphthalene in cellulose vapor phase cracking

    International Nuclear Information System (INIS)

    Norinaga, Koyo; Yang, Huamei; Tanaka, Ryota; Appari, Srinivas; Iwanaga, Keita; Takashima, Yuka; Kudo, Shinji; Shoji, Tetsuya; Hayashi, Jun-ichiro

    2014-01-01

    The reaction pathways leading to aromatic hydrocarbons such as benzene and naphthalene in gas-phase reactions of multi-component mixtures derived from cellulose fast pyrolysis were studied both experimentally and numerically. A two-stage tubular reactor was used for evaluating the reaction kinetics of secondary vapor phase cracking of the nascent pyrolysates at temperature ranging from 400 to 900 °C, residence time from 0.2 to 4.3 s, and at 241 kPa. The products of alkyne and diene were identified from the primary pyrolysis of cellulose even at low temperature range 500–600 °C. These products include acetylene, propyne, propadiene, vinylacetylene, and cyclopentadiene. Experiments were also numerically validated by a detailed chemical kinetic model consisting of more than 8000 elementary step-like reactions with over 500 chemical species. Acceptable capabilities of the kinetic model in predicting concentration profiles of the products enabled us to assess reaction pathways leading to benzene and naphthalene via the alkyne and diene from primary pyrolysates of cellulose. C 3 alkyne and diene are primary precursors of benzene at 650 °C, while combination of ethylene and vinylacetylene produces benzene dominantly at 850 °C. Cyclopentadiene is a prominent precursor of naphthalene. Combination of acetylene with propyne or allyl radical leads to the formation of cyclopentadiene. Furan and acrolein are likely important alkyne precursors in cellulose pyrolysis at low temperature, whereas dehydrogenations of olefins are major route to alkyne at high temperatures. - Highlights: • Analytical pyrolysis experiments provided data for kinetic modeling. • Detailed chemical kinetic model was used and evaluated. • Alkyne and diene were important intermediates for aromatic hydrocarbon formation. • Reaction pathways leading to aromatic hydrocarbons were proposed

  10. Controlling the physical parameters of crystalline CIGS nanowires for use in superstrate configuration using vapor phase epitaxy

    Science.gov (United States)

    Lee, Dongjin; Jeon, H. C.; Kang, T. W.; Kumar, Sunil

    2018-03-01

    Indium tin oxide (ITO) is a suitable candidate for smart windows and bifacial semi-transparent solar cell applications. In this study, highly crystalline CuInGaSe2 (CIGS) nanowires were successfully grown by horizontal-type vapor phase epitaxy on an ITO substrate. Length, diameter, and density of the nanowires were studied by varying the growth temperature (500, 520, and 560 °C), time (3.5, 6.5, and 9.5 h), and type of catalyst (In, Au, and Ga). Length, diameter, and density of the nanowires were found to be highly dependent on the growth conditions. At an optimized growth period and temperature of 3.5 h and 520 °C, respectively, the length and diameter of the nanowires were found to increase when grown in a catalyst-free environment. However, the density of the nanowires was found to be higher while using a catalyst during growth. Even in a catalyst-free environment, an Indium cluster formed at the bottom of the nanowires. The source of these nanowires is believed to be Indium from the ITO substrate which was observed in the EDS measurement. TEM-based EDS and line EDS indicated that the nanowires are made up of CIGS material with a very low Gallium content. XRD measurements also show the appearance of wurtzite CIS nanowires grown on ITO in addition to the chalcopyrite phase. PL spectroscopy was done to see the near-band-edge emission for finding band-to-band optical transition in this material. Optical response of the CIGS nanowire network was also studied to see the photovoltaic effect. This work creates opportunities for making real solar cell devices in superstrate configuration.

  11. Impact of metabolism and growth phase on the hydrogen isotopic composition of microbial fatty acids

    Science.gov (United States)

    Heinzelmann, Sandra M.; Villanueva, Laura; Sinke-Schoen, Danielle; Sinninghe Damsté, Jaap S.; Schouten, Stefan; van der Meer, Marcel T. J.

    2015-01-01

    Microorganisms are involved in all elemental cycles and therefore it is important to study their metabolism in the natural environment. A recent technique to investigate this is the hydrogen isotopic composition of microbial fatty acids, i.e., heterotrophic microorganisms produce fatty acids enriched in deuterium (D) while photoautotrophic and chemoautotrophic microorganisms produce fatty acids depleted in D compared to the water in the culture medium (growth water). However, the impact of factors other than metabolism have not been investigated. Here, we evaluate the impact of growth phase compared to metabolism on the hydrogen isotopic composition of fatty acids of different environmentally relevant microorganisms with heterotrophic, photoautotrophic and chemoautotrophic metabolisms. Fatty acids produced by heterotrophs are enriched in D compared to growth water with εlipid/water between 82 and 359‰ when grown on glucose or acetate, respectively. Photoautotrophs (εlipid/water between −149 and −264‰) and chemoautotrophs (εlipid/water between −217 and −275‰) produce fatty acids depleted in D. Fatty acids become, in general, enriched by between 4 and 46‰ with growth phase which is minor compared to the influence of metabolisms. Therefore, the D/H ratio of fatty acids is a promising tool to investigate community metabolisms in nature. PMID:26005437

  12. Non Intrrusive, On-line, Simultaneous Multi-Species Impurity Monitor in Hydrogen, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The purity of hydrogen fuel is important in engine testing at SSC. The hydrogen may become contaminated with nitrogen, argon, or oxygen. The hydrogen from the fuel...

  13. Non Intrrusive, On-line, Simultaneous Multi-Species Impurity Monitor in Hydrogen, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The purity of hydrogen fuel is important in engine testing at SSC. The hydrogen may become contaminated with nitrogen, argon, helium or oxygen. The hydrogen from the...

  14. Passive Wireless Hydrogen Sensors Using Orthogonal Frequency Coded Acoustic Wave Devices, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal describes the development of passive surface acoustic wave (SAW) based hydrogen sensors for NASA application to distributed wireless hydrogen leak...

  15. Staphylococcus xylosus PCR-validated Decontamination of Murine Individually Ventilated Cage Racks and Air Handling Units by Using ‘Active–Closed’ Exposure to Vaporized Hydrogen Peroxide

    Science.gov (United States)

    Ragland, Natalie H; Miedel, Emily L; Gomez, Jose M; Engelman, Robert W

    2017-01-01

    Vaporized hydrogen peroxide (VHP) is used to decontaminate clinical, biocontainment, and research animal rooms and equipment. To assist with its implementation in a murine facility, we developed a safe and effective method of VHP sterilization of IVC racks and air handling units (AHU). Safety of VHP decontamination was assessed by ensuring VHP levels dissipated to less than 1 ppm in the room prior to personnel reentry and inside the primary enclosure prior to the return of mice; this condition occurred at least 18 h after the VHP cycle. Efficacy of VHP sterilization was assessed by using chemical indicators, biologic indicators, and PCR testing for Staphylococcus xylosus, a commensal organism of murine skin and an opportunistic pathogen, which was present in 160 of 172 (93%) of specimens from occupied IVC racks and the interior surfaces of in-use AHU. Neither mechanized washing nor hand-sanitizing eradicated S. xylosus from equipment airway interiors, with 17% to 24% of specimens remaining PCR-positive for S. xylosus. ‘Static–open’ VHP exposure of sanitized equipment did not ensure its sterilization. In contrast, ‘active–closed’ VHP exposure, in which IVC racks were assembled, sealed, and connected to AHU set to the VHP cycle, increased the proportion of chemical indicators that detected sterilizing levels of VHP inside the assembled equipment, and significantly decreased PCR-detectable S. xylosus inside the equipment. Supplementing bulk steam sterilization of the primary enclosure with VHP sterilization of the secondary housing equipment during room change-outs may help to mitigate opportunistic agents that jeopardize studies involving immunodeficient strains. PMID:29256369

  16. Staphylococcus xylosus PCR-validated Decontamination of Murine Individually Ventilated Cage Racks and Air Handling Units by Using 'Active-Closed' Exposure to Vaporized Hydrogen Peroxide.

    Science.gov (United States)

    Ragland, Natalie H; Miedel, Emily L; Gomez, Jose M; Engelman, Robert W

    2017-11-01

    Vaporized hydrogen peroxide (VHP) is used to decontaminate clinical, biocontainment, and research animal rooms and equipment. To assist with its implementation in a murine facility, we developed a safe and effective method of VHP sterilization of IVC racks and air handling units (AHU). Safety of VHP decontamination was assessed by ensuring VHP levels dissipated to less than 1 ppm in the room prior to personnel reentry and inside the primary enclosure prior to the return of mice; this condition occurred at least 18 h after the VHP cycle. Efficacy of VHP sterilization was assessed by using chemical indicators, biologic indicators, and PCR testing for Staphylococcus xylosus, a commensal organism of murine skin and an opportunistic pathogen, which was present in 160 of 172 (93%) of specimens from occupied IVC racks and the interior surfaces of in-use AHU. Neither mechanized washing nor hand-sanitizing eradicated S. xylosus from equipment airway interiors, with 17% to 24% of specimens remaining PCR-positive for S. xylosus. 'Static-open' VHP exposure of sanitized equipment did not ensure its sterilization. In contrast, 'active-closed' VHP exposure, in which IVC racks were assembled, sealed, and connected to AHU set to the VHP cycle, increased the proportion of chemical indicators that detected sterilizing levels of VHP inside the assembled equipment, and significantly decreased PCR-detectable S. xylosus inside the equipment. Supplementing bulk steam sterilization of the primary enclosure with VHP sterilization of the secondary housing equipment during room change-outs may help to mitigate opportunistic agents that jeopardize studies involving immunodeficient strains.

  17. Hydrogenation of nitriles on a well-characterized nickel surface: From surface science studies to liquid phase catalytic activity measurements

    Energy Technology Data Exchange (ETDEWEB)

    Gardin, Denis Emmanuel [Univ. of California, Berkeley, CA (United States)

    1993-12-01

    Nitrile hydrogenation is the most commonly used method for preparing diverse amines. This thesis is aimed at the mechanism and factors affecting the performance of Ni-based catalysts in nitrile hydrogenations. Surface science techniques are used to study bonding of nitriles and amines to a Ni(111) surface and to identify surface intermediates. Liquid-phase hydrogenations of cyclohexene and 1-hexene on a Pt foil were carried out successfully. Finally, knowledge about the surface structure, surface chemical bond, dynamics of surface atoms (diffusion, growth), and reactivity of metal surfaces from solid-gas interface studies, is discussed.

  18. 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.

  19. 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}.

  20. Possibilities of hydrogen removal. Phase 2: Limitation of hydrogen effects in hypothetical severe accidents in PWR reactors

    International Nuclear Information System (INIS)

    Langer, G.; Koehling, A.; Nikodem, H.

    1984-01-01

    In the event of hypothetical severe accidents in light-water reactors, considerable amounts of hydrogen may be produced and released into the containment. Combustion of the hydrogen may jeopardize the integrity of the containment. The study reported here aimed to identify methods to mitigate the hydrogen problem. These methods should either prevent hydrogen combustion, or limit its effects. The following methods have been investigated: pre-inerting; chemical oxygen absorption; removal of oxygen by combustion; post-inerting with N 2 , CO 2 , or halon; aqueous foam; water fog; deliberate ignition; containment purging; and containment venting. The present state of the art in both nuclear and non-nuclear facilities, has been identified. The assessment of the methods was based on accident scenarios assuming significant release of hydrogen and the spectrum of requirements derived from these scenarios was used to determine the advantages and drawbacks of the various methods, assuming their application in a pressurized water reactor of German design. (orig./RW) [de

  1. Vapor-Phase Deposition and Modification of Metal-Organic Frameworks: State-of-the-Art and Future Directions.

    Science.gov (United States)

    Stassen, Ivo; De Vos, Dirk; Ameloot, Rob

    2016-10-04

    Materials processing, and thin-film deposition in particular, is decisive in the implementation of functional materials in industry and real-world applications. Vapor processing of materials plays a central role in manufacturing, especially in electronics. Metal-organic frameworks (MOFs) are a class of nanoporous crystalline materials on the brink of breakthrough in many application areas. Vapor deposition of MOF thin films will facilitate their implementation in micro- and nanofabrication research and industries. In addition, vapor-solid modification can be used for postsynthetic tailoring of MOF properties. In this context, we review the recent progress in vapor processing of MOFs, summarize the underpinning chemistry and principles, and highlight promising directions for future research. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Vapor phase treatment–total reflection X-ray fluorescence for trace elemental analysis of silicon wafer surface

    International Nuclear Information System (INIS)

    Takahara, Hikari; Mori, Yoshihiro; Shibata, Harumi; Shimazaki, Ayako; Shabani, Mohammad B.; Yamagami, Motoyuki; Yabumoto, Norikuni; Nishihagi, Kazuo; Gohshi, Yohichi

    2013-01-01

    Vapor phase treatment (VPT) was under investigation by the International Organization for Standardization/Technical Committee 201/Working Group 2 (ISO/TC201/WG2) to improve the detection limit of total reflection X-ray fluorescence spectroscopy (TXRF) for trace metal analysis of silicon wafers. Round robin test results have confirmed that TXRF intensity increased by VPT for intentional contamination with 5 × 10 9 and 5 × 10 10 atoms/cm 2 Fe and Ni. The magnification of intensity enhancement varied greatly (1.2–4.7 in VPT factor) among the participating laboratories, though reproducible results could be obtained for average of mapping measurement. SEM observation results showed that various features, sizes, and surface densities of particles formed on the wafer after VPT. The particle morphology seems to have some impact on the VPT efficiency. High resolution SEM observation revealed that a certain number of dots with SiO 2 , silicate and/or carbon gathered to form a particle and heavy metals, Ni and Fe in this study were segregated on it. The amount and shape of the residue should be important to control VPT factor. - Highlights: • This paper presents a summary of study results of VPT–TXRF using ISO/TC201/WG2. • Our goal is to analyze the trace metallic contamination on silicon wafer with concentrations below 1 × 10 10 atoms/cm 2 . • The efficiency and mechanism of VPT are discussed under several round robin tests and systematic studies

  3. Effect of Gold Dispersion on the Photocatalytic Activity of Mesoporous Titania for the Vapor-Phase Oxidation of Acetone

    Directory of Open Access Journals (Sweden)

    S. V. Awate

    2008-01-01

    Full Text Available Mesostructured titanium dioxide photocatalyst, having uniform crystallite size (6–12 nm and average pore diameter of ∼4.2 nm, was synthesized by using a low-temperature nonsurfactant hydrothermal route, employing tartaric acid as a templating agent. Gold additions from 0.5 to 2 wt% were incorporated, either during the hydrothermal process or by postsynthesis wet impregnation. Compared to the impregnation-prepared samples, the samples synthesized hydrothermally contained smaller-size (≤1 nm gold clusters occluded in the pores of the host matrix. Whereas CO2 and H2O were the main reaction products in UV-assisted vapor-phase oxidation of acetone using these catalysts, C2H6 and HCO2CH3 were also produced for higher acetone concentrations in air. The conversion of acetone was found to increase with decrease in the size of both TiO2 and gold particles. In situ IR spectroscopy revealed that titania and gold particles serve as independent adsorption and reaction sites for acetone and oxygen molecules. Acetone molecules adsorb exclusively at TiO2 surface, giving rise to a strongly adsorbed (condensed state as well as to the formation of formate- and methyl formate-type surface species. Hydroxyl groups at titania surface participate directly in these adsorption steps. Nanosize gold particles, on the other hand, were primarily responsible for the adsorption and activation of oxygen molecules. Mechanistic aspects of the photochemical processes are discussed on the basis of these observations.

  4. 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

  5. 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.

  6. Evidence for plasma phase transition in high pressure hydrogen from ab-initio simulations

    Energy Technology Data Exchange (ETDEWEB)

    Morales, M; Pierleoni, C; Schwegler, E; Ceperley, D

    2010-02-08

    We have performed a detailed study of molecular dissociation in liquid hydrogen using both Born-Oppenheimer molecular dynamics with Density Functional Theory and Coupled Electron-Ion Monte Carlo simulations. We observe a range of densities where (dP/d{rho}){sub T} = 0 that coincides with sharp discontinuities in the electronic conductivity, which is clear evidence of the plasma phase transition for temperatures 600K {le} T {le} 1500K. Both levels of theory exhibit the transition, although Quantum Monte Carlo predicts higher transition pressures. Based on the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures slightly below 2000 K. We examine the influence of proton zero point motion by using Path Integral Molecular Dynamics with Density Functional Theory; the main effect is to shift the transition to lower pressures. Furthermore, we calculate the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line in good agreement with previous calculations. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using Quantum Monte Carlo energetics.

  7. Quantum double-well chain: Ground-state phases and applications to hydrogen-bonded materials

    International Nuclear Information System (INIS)

    Wang, X.; Campbell, D.K.; Gubernatis, J.E.

    1994-01-01

    Extrapolating the results of hybrid quantum Monte Carlo simulations to the zero temperature and infinite-chain-length limits, we calculate the ground-state phase diagram of a system of quantum particles on a chain of harmonically coupled, symmetric, quartic double-well potentials. We show that the ground state of this quantum chain depends on two parameters, formed from the ratios of the three natural energy scales in the problem. As a function of these two parameters, the quantum ground state can exhibit either broken symmetry, in which the expectation values of the particle's coordinate are all nonzero (as would be the case for a classical chain), or restored symmetry, in which the expectation values of the particle's coordinate are all zero (as would be the case for a single quantum particle). In addition to the phase diagram as a function of these two parameters, we calculate the ground-state energy, an order parameter related to the average position of the particle, and the susceptibility associated with this order parameter. Further, we present an approximate analytic estimate of the phase diagram and discuss possible physical applications of our results, emphasizing the behavior of hydrogen halides under pressure

  8. {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}.

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

    Science.gov (United States)

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

    2012-07-28

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

  10. Hydrogen diffusion in the Laves-phase compound TiCr1.78

    International Nuclear Information System (INIS)

    Mazzolai, G.; Coluzzi, B.; Biscarini, A.; Mazzolai, F.M.; Tuissi, A.; Agresti, F.; Principi, G.; Lo Russo, S.

    2009-01-01

    The temperature dependence of the Young's modulus and of the internal friction (IF) has been investigated between 80 and 300 K at acoustical frequencies in the hexagonal (C14) Laves-phase TiCr 1.78 charged with hydrogen. In this compound H occupies tetrahedral interstitial sites which are grouped in interlinked hexagons. A mechanical relaxation has been found at around 120 K (f = 5.4 kHz), which appears to be due to tunnelling transitions of delocalized H from one hexagon to the other. The rate of H absorption has been investigated at high temperature (660-1200 K) and the H diffusion coefficient has been derived from the pressure measurement as a function of time. A cumulative Arrhenius plot of IF and absorption diffusion data exhibits a non-exponential behaviour, which is due to a change in the diffusion mechanism from over-barrier hopping at high temperature to phonon-assisted tunnelling at low temperature.

  11. Experimental studies on hydrogen isotopic deuterium from gas to liquid phase by catalytic exchange

    International Nuclear Information System (INIS)

    Luo Yangming; Wang Heyi; Liu Jun; Fu Zhonghua; Wang Changbin; Han Jun; Xia Xiulong; Tang Lei

    2005-01-01

    The experimental studies on hydrogen isotopic deuterium from gas to liquid phase were completed by mixed ratio 1:4 of Pt-SDB hydrophobic catalyst and hydrophilic packing. The influencing factors on number of transfer units (NTU) and transformation efficiencies of deuterium were researched. The results show that preferable NTU can be obtained by choosing suitable operational temperature and flux of exchange gas. The transformation rate increases with increasing liquid flux, but it cannot obviously be improved when liquid flux attains some level. The length of catalytic column has an obvious influence on transformation rate and 90% of transformation rate is obtained by 4 m column length at gas flux with 2 m 3 /h, liquid flux with 1-2 kg/h and 45 degree C. (author)

  12. Effect of algal growth phase on Aureococcus anophagefferens susceptibility to hydrogen peroxide

    Energy Technology Data Exchange (ETDEWEB)

    Randhawa, Varunpreet; Thakkar, Megha; Wei, Liping, E-mail: liping.wei@njit.edu

    2013-10-15

    Highlights: •Brown tide alga's susceptibility to H{sub 2}O{sub 2} was examined via growth and physiology responses. •The study was designed equalizing the influence of the media and cell density in test cultures. •Stationary cells was more sensitive to H{sub 2}O{sub 2} than exponential cells. •Stationary cells showed weaker non-protein thiol up-regulation than exponential cells. •Stationary cells mediated greater H{sub 2}O{sub 2} decomposition than exponential cells did. -- Abstract: A cell's growth phase could affect its susceptibility to a biocide in microbial control. This study examines the growth phase dependent susceptibility of a brown tide bloom alga Aureococcus anophagefferens to microbial biocide hydrogen peroxide (H{sub 2}O{sub 2}). Test cultures of A. anophagefferens cells in exponential and stationary growth phase and similar initial cell density (1.6 × 10{sup 6} cells mL{sup −1}) were exposed to 0.4–1.6 mg L{sup −1} H{sub 2}O{sub 2}. Changes in algal growth (in vivo fluorescence, total chlorophyll a, and cell density), cell physiology (maximum quantum yield of photosystem II, and total intracellular non-protein thiols), and H{sub 2}O{sub 2} decomposition were quantified. Results show that the stationary phase cells are more susceptible to H{sub 2}O{sub 2} than the exponential phase cells, and this is attributed to the weaker ROS (reactive oxygen species) scavenging system and consequently greater cell damage in stationary phase cells. The stationary phase cells potentially require 30–40% less H{sub 2}O{sub 2} to reach 90% removal within 12 h of treatment as compared to the exponential phase cells. The results have practical implications in brown tide bloom control with respect to the timing and the dosage of H{sub 2}O{sub 2} application.

  13. 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}.

  14. 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.

  15. Two-phase flow modelling of a solar concentrator applied as ammonia vapor generator in an absorption refrigerator

    Energy Technology Data Exchange (ETDEWEB)

    Ortega, N. [Posgrado en Ingenieria (Energia), Universidad Nacional Autonoma de Mexico, Privada Xochicalco s/n, Temixco, Morelos 62580 (Mexico); Garcia-Valladares, O.; Best, R.; Gomez, V.H. [Centro de Investigacion en Energia, Universidad Nacional Autonoma de Mexico, Privada Xochicalco s/n, Temixco, Morelos 62580 (Mexico)

    2008-09-15

    A detailed one-dimensional numerical model describing the heat and fluid-dynamic behavior inside a compound parabolic concentrator (CPC) used as an ammonia vapor generator has been developed. The governing equations (continuity, momentum, and energy) inside the CPC absorber tube, together with the energy equation in the tube wall and the thermal analysis in the solar concentrator were solved. The computational method developed is useful for the solar vapor generator design applied to absorption cooling systems. The effect on the outlet temperature and vapor quality of a range of CPC design parameters was analyzed. These parameters were the acceptance half-angle and CPC length, the diameter and coating of the absorber tube, and the manufacture materials of the cover, the reflector, and the absorber tube. It was found that the most important design parameters in order to obtain a higher ammonia-water vapor production are, in order of priority: the reflector material, the absorber tube diameter, the selective surface, and the acceptance half-angle. The direct ammonia-water vapor generation resulting from a 35 m long CPC was coupled to an absorption refrigeration system model in order to determine the solar fraction, cooling capacity, coefficient of performance, and overall efficiency during a typical day of operation. The results show that approximately 3.8 kW of cooling at -10{sup o}C could be produced with solar and overall efficiencies up to 46.3% and 21.2%, respectively. (author)

  16. Flow Characterization of Vapor Phase of Geothermal Fluid in Pipe Using Isotope 85Kr and Residence Time Distribution Modeling

    Directory of Open Access Journals (Sweden)

    S. Sugiharto

    2014-08-01

    Full Text Available Measurement of vapor flow in geothermal pipe faces great challenges due to fast fluids flow in high-temperature and high-pressure environment. In present study the flow rate measurement has been performed to characterization the geothermal vapor flow in a pipe. The experiment was carried out in a pipe which is connected to a geothermal production well, KMJ-14. The pipe has a 10” outside diameter and contains dry vapor at a pressure of 8 kg/cm2 and a temperature of 170 oC. Krypton-85 gas isotope (85Kr has been injected into the pipe. Three collimated radiation detectors positioned respectively at 127, 177 and 227m from injection point were used to obtain experimental data which represent radiotracer residence time distribution (RTD in the pipe. The last detector at the position of 227 m did not respond, which might be due to problems in cable connections. Flow properties calculated using mean residence time (MRT shows that the flow rate of the vapor in pipe is 10.98 m/s, much faster than fluid flow commonly found in various industrial process plants. Best fitting evaluated using dedicated software developed by IAEA expert obtained the Péclet number Pe as 223. This means that the flow of vapor of geothermal fluids in pipe is plug flow in character. The molecular diffusion coefficient is 0.45 m2/s, calculated from the axial dispersion model.

  17. Response of Aspergillus niger Inoculated on Tomatoes Exposed to Vapor Phase Mustard Essential Oil for Short or Long Periods and Sensory Evaluation of Treated Tomatoes

    Directory of Open Access Journals (Sweden)

    Ana Elena Aguilar-González

    2017-01-01

    Full Text Available The inhibitory effect of mustard essential oil (EO in vapor phase against Aspergillus niger was evaluated in vitro and in vivo (in tomatoes. Mold response in tomatoes exposed for short or long periods to selected concentrations of mustard EO was also evaluated. Furthermore, a sensory evaluation was also performed among treated tomatoes and compared with nontreated ones. Minimum inhibitory concentration (MIC for the studied EO was determined by the inverted Petri dish method. MIC for the in vitro and in vivo tests for mustard EO was of 3.08 μL/Lair. In vitro and in vivo results demonstrate the effectiveness of vapors of mustard EO against A. niger. The studied EO contains highly volatile organic compounds with strong inhibitory effects, even when applied for short periods, and can consequently be considered a good alternative to traditional synthetic antimicrobials without detriment of selected sensory attributes.

  18. Elimination of macrostep-induced current flow nonuniformity in vertical GaN PN diode using carbon-free drift layer grown by hydride vapor phase epitaxy

    Science.gov (United States)

    Fujikura, Hajime; Hayashi, Kentaro; Horikiri, Fumimasa; Narita, Yoshinobu; Konno, Taichiro; Yoshida, Takehiro; Ohta, Hiroshi; Mishima, Tomoyoshi

    2018-04-01

    In vertical GaN PN diodes (PNDs) grown entirely by metal–organic chemical vapor deposition (MOCVD), large current nonuniformity was observed. This nonuniformity was induced by macrosteps on the GaN surface through modulation of carbon incorporation into the n-GaN crystal. It was eliminated in a hybrid PND consisting of a carbon-free n-GaN layer grown by hydride vapor phase epitaxy (HVPE) and an MOCVD-regrown p-GaN layer. The hybrid PND showed a fairly low on-resistance (2 mΩ cm2) and high breakdown voltage (2 kV) even without a field plate electrode. These results clearly indicated the strong advantages of the HVPE-grown drift layer for improving power device performance, uniformity, and yield.

  19. The effect of carrier gas flow rate and source cell temperature on low pressure organic vapor phase deposition simulation by direct simulation Monte Carlo method

    Science.gov (United States)

    Wada, Takao; Ueda, Noriaki

    2013-01-01

    The process of low pressure organic vapor phase deposition (LP-OVPD) controls the growth of amorphous organic thin films, where the source gases (Alq3 molecule, etc.) are introduced into a hot wall reactor via an injection barrel using an inert carrier gas (N2 molecule). It is possible to control well the following substrate properties such as dopant concentration, deposition rate, and thickness uniformity of the thin film. In this paper, we present LP-OVPD simulation results using direct simulation Monte Carlo-Neutrals (Particle-PLUS neutral module) which is commercial software adopting direct simulation Monte Carlo method. By estimating properly the evaporation rate with experimental vaporization enthalpies, the calculated deposition rates on the substrate agree well with the experimental results that depend on carrier gas flow rate and source cell temperature. PMID:23674843

  20. The effect of carrier gas flow rate and source cell temperature on low pressure organic vapor phase deposition simulation by direct simulation Monte Carlo method

    Science.gov (United States)

    Wada, Takao; Ueda, Noriaki

    2013-04-01

    The process of low pressure organic vapor phase deposition (LP-OVPD) controls the growth of amorphous organic thin films, where the source gases (Alq3 molecule, etc.) are introduced into a hot wall reactor via an injection barrel using an inert carrier gas (N2 molecule). It is possible to control well the following substrate properties such as dopant concentration, deposition rate, and thickness uniformity of the thin film. In this paper, we present LP-OVPD simulation results using direct simulation Monte Carlo-Neutrals (Particle-PLUS neutral module) which is commercial software adopting direct simulation Monte Carlo method. By estimating properly the evaporation rate with experimental vaporization enthalpies, the calculated deposition rates on the substrate agree well with the experimental results that depend on carrier gas flow rate and source cell temperature.

  1. WxC-β-SiC Nanocomposite Catalysts Used in Aqueous Phase Hydrogenation of Furfural

    Directory of Open Access Journals (Sweden)

    Jacek Rogowski

    2017-11-01

    Full Text Available This study investigates the effects of the addition of tungsten on the structure, phase composition, textural properties and activities of β-SiC-based catalysts in the aqueous phase hydrogenation of furfural. Carbothermal reduction of SiO2 in the presence of WO3 at 1550 °C in argon resulted in the formation of WxC-β-SiC nanocomposite powders with significant variations in particle morphology and content of WxC-tipped β-SiC nano-whiskers, as revealed by TEM and SEM-EDS. The specific surface area (SSA of the nanocomposite strongly depended on the amount of tungsten and had a notable impact on its catalytic properties for the production of furfuryl alcohol (FA and tetrahydrofurfuryl alcohol (THFA. Nanocomposite WxC-β-SiC catalysts with 10 wt % W in the starting mixture had the highest SSA and the smallest WxC crystallites. Some 10 wt % W nanocomposite catalysts demonstrated up to 90% yield of THFA, in particular in the reduction of furfural derived from biomass, although the reproducible performance of such catalysts has yet to be achieved.

  2. WxC-β-SiC Nanocomposite Catalysts Used in Aqueous Phase Hydrogenation of Furfural.

    Science.gov (United States)

    Rogowski, Jacek; Andrzejczuk, Mariusz; Berlowska, Joanna; Binczarski, Michal; Kregiel, Dorota; Kubiak, Andrzej; Modelska, Magdalena; Szubiakiewicz, Elzbieta; Stanishevsky, Andrei; Tomaszewska, Jolanta; Witonska, Izabela Alina

    2017-11-22

    This study investigates the effects of the addition of tungsten on the structure, phase composition, textural properties and activities of β-SiC-based catalysts in the aqueous phase hydrogenation of furfural. Carbothermal reduction of SiO₂ in the presence of WO₃ at 1550 °C in argon resulted in the formation of W x C-β-SiC nanocomposite powders with significant variations in particle morphology and content of W x C-tipped β-SiC nano-whiskers, as revealed by TEM and SEM-EDS. The specific surface area (SSA) of the nanocomposite strongly depended on the amount of tungsten and had a notable impact on its catalytic properties for the production of furfuryl alcohol (FA) and tetrahydrofurfuryl alcohol (THFA). Nanocomposite W x C-β-SiC catalysts with 10 wt % W in the starting mixture had the highest SSA and the smallest W x C crystallites. Some 10 wt % W nanocomposite catalysts demonstrated up to 90% yield of THFA, in particular in the reduction of furfural derived from biomass, although the reproducible performance of such catalysts has yet to be achieved.

  3. An Affordable Autonomous Hydrogen Flame Detection System for Rocket Propulsion, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA has long used liquid hydrogen as a fuel and plans to continue using it in association with their advanced nuclear thermal propulsion technology. Hydrogen fire...

  4. Experimental investigation of ion cyclotron range of frequencies heating scenarios for ITER's half-field hydrogen phase performed in JET

    NARCIS (Netherlands)

    Lerche, E.; Van Eester, D.; Johnson, T. J.; Hellsten, T.; Ongena, J.; Mayoral, M. L.; Frigione, D.; Sozzi, C.; Calabro, G.; Lennholm, M.; Beaumont, P.; Blackman, T.; Brennan, D.; Brett, A.; Cecconello, M.; Coffey, I.; Coyne, A.; Crombe, K.; Czarnecka, A.; Felton, R.; Giroud, C.; Gorini, G.; Hellesen, C.; Jacquet, P.; Kiptily, V.; Knipe, S.; Krasilnikov, A.; Maslov, M.; Monakhov, I.; Noble, C.; Nocente, M.; Pangioni, L.; Proverbio, I.; Sergienko, G.; Stamp, M.; Studholme, W.; Tardocchi, M.; Vdovin, V.; Versloot, T.; Voitsekhovitch, I.; Whitehurst, A.; Wooldridge, E.; Zoita, V.; JET-EFDA Contributors,

    2012-01-01

    Two ion cyclotron range of frequencies (ICRF) heating schemes proposed for the half-field operation phase of ITER in hydrogen plasmas—fundamental H majority and second harmonic 3 He ICRF heating—were recently investigated in JET. Although the same magnetic field and RF frequencies ( f ≈ 42 MHz and f

  5. β-Molybdenum nitride: synthesis mechanism and catalytic response in the gas phase hydrogenation of p-chloronitrobenzene

    NARCIS (Netherlands)

    Cárdenas-Lizana, F.; Gómez-Quero, S.; Perret, N.; Kiwi-Minsker, L.; Keane, M.A.

    2011-01-01

    A temperature programmed treatment of MoO3 in flowing N2 + H2 has been employed to prepare β-phase molybdenum nitride (β-Mo2N) which has been used to promote, for the first time, the catalytic hydrogenation of p-chloronitrobenzene. The reduction/nitridation synthesis steps have been monitored in

  6. 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)

  7. Aqueous-Phase Reforming of Renewable Polyols for Production of Hydrogen using Platinum Catalysts

    NARCIS (Netherlands)

    Boga, D.A.

    2013-01-01

    Hydrogen has the potential to fuel the energy needs of a more sustainable society. As hydrogen is not found in nature in any appreciable quantities, this energy carrier needs to be produced from a primary energy source. Biomass can serve as a source for sustainable hydrogen production. In principle,

  8. A critical review of vapor generation laws used for the analysis of two-phase flows in pipes

    International Nuclear Information System (INIS)

    Berne, P.

    1983-05-01

    Some vapor generation laws are reviewed and discussed. They are divided into empirical and analytical laws. Analytical laws are first examined. These laws result from analytical solutions of the local instantaneous equations applied to elementary cases. Empirical laws, i.e. laws that are determined by correlations with experimental data, are then discussed [fr

  9. 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.

  10. 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

  11. Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1 - C10

    Science.gov (United States)

    Acree, William; Chickos, James S.

    2016-09-01

    A compendium of phase change enthalpies published in 2010 is updated to include the period 1880-2015. Phase change enthalpies including fusion, vaporization, and sublimation enthalpies are included for organic, organometallic, and a few inorganic compounds. Part 1 of this compendium includes organic compounds from C1 to C10. Part 2 of this compendium, to be published separately, will include organic and organometallic compounds from C11 to C192. Sufficient data are presently available to permit thermodynamic cycles to be constructed as an independent means of evaluating the reliability of the data. Temperature adjustments of phase change enthalpies from the temperature of measurement to the standard reference temperature, T = 298.15 K, and a protocol for doing so are briefly discussed.

  12. Metallic 1T phase source/drain electrodes for field effect transistors from chemical vapor deposited MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Kappera, Rajesh; Voiry, Damien; Jen, Wesley; Acerce, Muharrem; Torrel, Sol; Chhowalla, Manish, E-mail: manish1@rci.rutgers.edu [Materials Science and Engineering, Rutgers University, 607 Taylor Road, Piscataway, New Jersey 08854 (United States); Yalcin, Sibel Ebru; Branch, Brittany; Gupta, Gautam; Mohite, Aditya D. [MPA-11 Materials Synthesis and Integrated Devices, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Lei, Sidong; Chen, Weibing; Najmaei, Sina; Lou, Jun; Ajayan, Pulickel M. [Mechanical Engineering and Materials Science Department, Rice University, Houston, Texas 77005 (United States)

    2014-09-01

    Two dimensional transition metal dichalcogenides (2D TMDs) offer promise as opto-electronic materials due to their direct band gap and reasonably good mobility values. However, most metals form high resistance contacts on semiconducting TMDs such as MoS{sub 2}. The large contact resistance limits the performance of devices. Unlike bulk materials, low contact resistance cannot be stably achieved in 2D materials by doping. Here we build on our previous work in which we demonstrated that it is possible to achieve low contact resistance electrodes by phase transformation. We show that similar to the previously demonstrated mechanically exfoliated samples, it is possible to decrease the contact resistance and enhance the FET performance by locally inducing and patterning the metallic 1T phase of MoS{sub 2} on chemically vapor deposited material. The device properties are substantially improved with 1T phase source/drain electrodes.

  13. Data acquisition and quantitative analysis of stable hydrogen isotope in liquid and gas in the liquid phase catalytic exchange process

    International Nuclear Information System (INIS)

    Choi, H. J.; Lee, H. S.; Kim, K. R.; Cheong, H. S.; Ahn, D. H.; Lee, S. H.; Paek, S. W.; Kang, H. S.; Kim, J. G.

    2001-01-01

    A pilot plant for the Liquid Phase Catalytic Exchange process was built and has been operating to test the hydrophobic catalyst developed to remove the tritium generated at the CANDU nuclear power plants. The methods of quantitative analysis of hydrogen stable isotope were compared. Infrared spectroscopy was used for the liquid samples, and gas chromatography with hydrogen carrier gas showed the best result for gas samples. Also, a data acquisition system was developed to record the operation parameters. This record was very useful to investigate the causes of the system trip

  14. Pb sub(1-x) Sn sub(x) Te monocrystal growth by vapor phase transport, with formation of a liquid/solid growth interphase

    International Nuclear Information System (INIS)

    An, C.Y.; Bandeira, I.N.

    1983-01-01

    Due to segregation effects single-crystals of Pb sub(1-x) Sn sub(x) Te growth by Bridgman techniques have an inhomogenous composition profile. A vapor phase transport growth process has been developed in order to reduce convective flows. This is due to the very thin melt layer in front of the crystal, that makes convective flows small and solute mixing in the melt very low. By this process single-crystals with 60 mm lenght by 15 mm diameter and a high degree of homogeneity have been grown. (Author) [pt

  15. Depletion-mode vertical Ga2O3 trench MOSFETs fabricated using Ga2O3 homoepitaxial films grown by halide vapor phase epitaxy

    Science.gov (United States)

    Sasaki, Kohei; Thieu, Quang Tu; Wakimoto, Daiki; Koishikawa, Yuki; Kuramata, Akito; Yamakoshi, Shigenobu

    2017-12-01

    We developed depletion-mode vertical Ga2O3 trench metal-oxide-semiconductor field-effect transistors by using n+ contact and n- drift layers. These epilayers were grown on an n+ (001) Ga2O3 single-crystal substrate by halide vapor phase epitaxy. Cu and HfO2 were used for the gate metal and dielectric film, respectively. The mesa width and gate length were approximately 2 and 1 µm, respectively. The devices showed good DC characteristics, with a specific on-resistance of 3.7 mΩ cm2 and clear current modulation. An on-off ratio of approximately 103 was obtained.

  16. Nuclear dynamics in the metastable phase of the solid acid caesium hydrogen sulfate.

    Science.gov (United States)

    Krzystyniak, Maciej; Drużbicki, Kacper; Fernandez-Alonso, Felix

    2015-12-14

    High-resolution spectroscopic measurements using thermal and epithermal neutrons and first-principles calculations within the framework of density-functional theory are used to investigate the nuclear dynamics of light and heavy species in the metastable phase of caesium hydrogen sulfate. Within the generalised-gradient approximation, extensive calculations show that both 'standard' and 'hard' formulations of the Perdew-Burke-Ernzerhof functional supplemented by Tkatchenko-Scheffler dispersion corrections provide an excellent description of the known structure, underlying vibrational density of states, and nuclear momentum distributions measured at 10 and 300 K. Encouraged by the agreement between experiment and computational predictions, we provide a quantitative appraisal of the quantum contributions to nuclear motions in this solid acid. From this analysis, we find that only the heavier caesium atoms reach the classical limit at room temperature. Contrary to naïve expectation, sulfur exhibits a more pronounced quantum character relative to classical predictions than the lighter oxygen atom. We interpret this hitherto unexplored nuclear quantum effect as arising from the tighter binding environment of this species in this technologically relevant material.

  17. Biocatalytic methanation of hydrogen and carbon dioxide in an anaerobic three-phase system.

    Science.gov (United States)

    Burkhardt, M; Koschack, T; Busch, G

    2015-02-01

    A new type of anaerobic trickle-bed reactor was used for biocatalytic methanation of hydrogen and carbon dioxide under mesophilic temperatures and ambient pressure in a continuous process. The conversion of gaseous substrates through immobilized hydrogenotrophic methanogenic archaea in a biofilm is a unique feature of this type of reactor. Due to the formation of a three-phase system on the carrier surface and operation as a plug flow reactor without gas recirculation, a complete reaction could be observed. With a methane concentration higher than c(CH4) = 98%, the product gas exhibits a very high quality. A specific methane production of P(CH4) = 1.49 Nm(3)/(m(3)(SV) d) was achieved at a hydraulic loading rate of LR(H2) = 6.0 Nm(3)/(m(3)(SV) d). The relation between trickle flow through the reactor and productivity could be shown. An application for methane enrichment in combination with biogas facilities as a source of carbon dioxide has also been positively proven. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Hydrogen diffusion in the Laves-phase compound TiCr{sub 1.78}

    Energy Technology Data Exchange (ETDEWEB)

    Mazzolai, G. [University of Perugia, Department of Physics, Via A. Pascoli 5, 06100 Perugia (Italy); Universita Telematica e-Campus, Via Isimbardi 10, Novedrate (Colombia) (Italy); Coluzzi, B.; Biscarini, A. [University of Perugia, Department of Physics, Via A. Pascoli 5, 06100 Perugia (Italy); Mazzolai, F.M., E-mail: fabio.mazzolai@fisica.unipg.it [University of Perugia, Department of Physics, Via A. Pascoli 5, 06100 Perugia (Italy); Tuissi, A. [Institute for Energy and Interphases, CNR-IENI, C.so Promessi Sposi, 29, Lecco (Italy); Agresti, F.; Principi, G. [University of Padua, Dept. of Mech. Eng., via Marzolo 8, 35131 Padua (Italy); Lo Russo, S. [University of Padua, Physics Dept., via Marzolo 8, 35131 Padua (Italy)

    2009-09-15

    The temperature dependence of the Young's modulus and of the internal friction (IF) has been investigated between 80 and 300 K at acoustical frequencies in the hexagonal (C14) Laves-phase TiCr{sub 1.78} charged with hydrogen. In this compound H occupies tetrahedral interstitial sites which are grouped in interlinked hexagons. A mechanical relaxation has been found at around 120 K (f = 5.4 kHz), which appears to be due to tunnelling transitions of delocalized H from one hexagon to the other. The rate of H absorption has been investigated at high temperature (660-1200 K) and the H diffusion coefficient has been derived from the pressure measurement as a function of time. A cumulative Arrhenius plot of IF and absorption diffusion data exhibits a non-exponential behaviour, which is due to a change in the diffusion mechanism from over-barrier hopping at high temperature to phonon-assisted tunnelling at low temperature.

  19. Evaluation of vaporized hydrogen peroxide, Citrox and pH neutral Ecasol for decontamination of an enclosed area: a pilot study.

    LENUS (Irish Health Repository)

    Galvin, S

    2012-01-01

    Hydrogen peroxide, Ecasol and Citrox aerosols were each tested for their ability to kill a range of nosocomial pathogens. Hydrogen peroxide had the broadest microbicidal activity but operational issues limit its use. Ecasol was effective against all micro-organisms, except Clostridium difficile, while Citrox aerosols were not effective against Gram-negative bacilli.

  20. Vapor-Phase Infrared Spectral Study of Weapons-Grade O-Ethyl S-2(diisopropylamino)ethyl methylphosphonothiolate (VX)

    Science.gov (United States)

    2012-05-01

    tank, across an alumina Soxhlet -shaped wick positioned in a glass holder filled with the analyte. This technique yields a saturated vapor-liquid...solutions with only two components, particularly when the two compounds are chemically similar, the use of Raoult’s law can yield predicted pressures...approaches 1, na in the lower part of the fraction in eq 2 can be ignored, and the equation can then be rearranged and combined with eq 1 to yield n

  1. Molecular Simulation of the Vapor-Liquid Phase Behavior of Lennard-Jones Mixtures in Porous Solids

    Science.gov (United States)

    2006-09-01

    sur la Catalyse, Centre National de la Recherche Scientifique, Group de Chimie Theorique, 2 Avenue Albert Einstein, 69626 Villeurbanne Cedex, France...and Group de Chimie Theorique, Ecole Normale Superieure de Lyon, 46 Allee d’Italie, 69364 Lyon, Cedex 07, France 14. ABSTRACT We present vapor...Scientifique, Group de Chimie Theorique, 2 Avenue Albert Einstein, 69626 Villeurbanne Cedex, France and Group de Chimie Theorique, Ecole Normale

  2. Optimization of the vapor/carbon rate in the project of a hydrogen generation unit from naphtha; Otimizacao da relacao vapor/carbono no projeto de uma unidade de geracao de hidrogenio a partir de nafta

    Energy Technology Data Exchange (ETDEWEB)

    Baleroni, Dirceu; Silva, Mauro [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas

    1993-12-31

    This paper presents a study of the economic optimization of the steam to carbon ratio in the design of a 550,000 Nm{sup 3}/day plant producing hydrogen from naphtha. The effect of the steam to carbon ratio on the production cost and on the plant operational flexibility was taken into account. The process includes feed desulfurization, steal reforming, carbon monoxide conversion and pressure swing adsorption purification. The paper analyzes the influence of the steam to carbon ratio on the purity of the hydrogen product and on the operational cost of an existing 212,000 Nm{sup 3}/day hydrogen from naphtha unit. (author) 17 refs., 2 figs., 11 tabs

  3. 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.

  4. 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

  5. Vapor-liquid phase behavior of a size-asymmetric model of ionic fluids confined in a disordered matrix: The collective-variables-based approach

    Science.gov (United States)

    Patsahan, O. V.; Patsahan, T. M.; Holovko, M. F.

    2018-02-01

    We develop a theory based on the method of collective variables to study the vapor-liquid equilibrium of asymmetric ionic fluids confined in a disordered porous matrix. The approach allows us to formulate the perturbation theory using an extension of the scaled particle theory for a description of a reference system presented as a two-component hard-sphere fluid confined in a hard-sphere matrix. Treating an ionic fluid as a size- and charge-asymmetric primitive model (PM) we derive an explicit expression for the relevant chemical potential of a confined ionic system which takes into account the third-order correlations between ions. Using this expression, the phase diagrams for a size-asymmetric PM are calculated for different matrix porosities as well as for different sizes of matrix and fluid particles. It is observed that general trends of the coexistence curves with the matrix porosity are similar to those of simple fluids under disordered confinement, i.e., the coexistence region gets narrower with a decrease of porosity and, simultaneously, the reduced critical temperature Tc* and the critical density ρi,c * become lower. At the same time, our results suggest that an increase in size asymmetry of oppositely charged ions considerably affects the vapor-liquid diagrams leading to a faster decrease of Tc* and ρi,c * and even to a disappearance of the phase transition, especially for the case of small matrix particles.

  6. Evaluation of corrosivity of the vapor-phase environments to sterilized water with chlorine; Enso kei mekkin shorisui no kisho kankyo no fushokusei

    Energy Technology Data Exchange (ETDEWEB)

    Nakata, Michio. [Nippon Steel Corp. Yamaguchi (Japan). Technical Development Bureau

    1999-08-15

    Corrosivity of vapor-phase aenvironments in indoor pool, water thank, and water purification plants was investigated. Sodium hypochlorite (NaClO) was used as a sterilizing agent in indoor pool, while chlorine gas was used in water tank and water purification plants. It was found that Cl{sup -} ion were concentrated in the dew formed in the indoor pool. H{sup +} ions as well as Cl{sup -} ions were accumulated in the dew dormed in the water tank ans water purification plants. Thus, the corrosion condition was varied with the type of sterilizing agents used. Through the investigation of water tanl, the relationship between pH and Cl{sup -} ion concentration was given as follow; pH=-1.09-2.19 log [Cl{sup -}] (mol/L). Corrosivity of vapor-phase enviroments in sterilizing water systems would be characterized by the exstence of oxidizing chemical agents such as ClO{sup -} and HClO, the shift of corrosion potenrial of the thin water film, and the accumulation of H{sup +} and/or Cl{sup -} ions in the dew. (author)

  7. (abstract) Experimental and Modeling Studies of the Exchange Current at the Alkali Beta'-Alumina/Porous Electrode/Alkali Metal Vapor Three Phase Boundary

    Science.gov (United States)

    Williams, R. M.; Jeffries-Nakamura, B.; Ryan, M. A.; Underwood, M. L.; O'Connor, D.; Kikkert, S.

    1993-01-01

    The microscopic mechanism of the alkali ion-electron recombination reaction at the three phase boundary zone formed by a porous metal electrode in the alkali vapor on the surface of an alkali beta'-alumina solid electrolyte (BASE) ceramic has been studied by comparison of the expected rates for the three simplest reaction mechanisms with known temperature dependent rate data; and the physical parameters of typical porous metal electrode/BASE/alkali metal vapor reaction zones. The three simplest reactions are tunneling of electrons from the alkali coated electrode to a surface bound alkali metal ion; emission of an electron from the electrode with subsequent capture by a surface bound alkali metal ion; and thermal emission of an alkali cation from the BASE and its capture on the porous metal electrode surface where it may recombine with an electron. Only the first reaction adequately accounts for both the high observed rate and its temperature dependence. New results include crude modeling of simple, one step, three phase, solid/solid/gas electrochemical reaction.

  8. Gas-phase fragmentation of peptides to increase the spatial resolution of the Hydrogen Exchange Mass Spectrometry experiment

    DEFF Research Database (Denmark)

    Jensen, Pernille Foged; Rand, Kasper Dyrberg

    2016-01-01

    are produced after precursor ion selection and thus do not add complexity to the LC-MS analysis. The key to obtaining optimal spatial resolution in a hydrogen exchange mass spectrometry (HX-MS) experiment is the fragmentation efficiency. This chapter discusses common fragmentation techniques like collision....../D scrambling, thus making them suitable for HX applications. By combining the classic bottom-up HX-MS workflow with gas-phase fragmentation by ETD, detailed information on protein HX can be obtained....

  9. Valorization of Calcium Carbonate-Based Solid Wastes for the Treatment of Hydrogen Sulfide from the Gas Phase

    OpenAIRE

    Pham Xuan , Huynh; Pham Minh , Doan; Galera Martinez , Marta; Nzihou , Ange; Sharrock , Patrick

    2015-01-01

    International audience; This paper focuses on the valorization of calcium carbonate-based solid wastes for theremoval of hydrogen sulfide from gas phase. Two solid wastes taken from industrial sites for theproduction of sodium carbonate and sodium bicarbonate by the Solvay process® were analyzedby different physico-chemical methods. Calcium carbonate was found as the main component ofboth the solid wastes. Trace amounts of other elements such as Mg, Al, Fe, Si, Cl, Na etc. werealso present in...

  10. Ionization steps and phase-space metamorphoses in the pulsed microwave ionization of highly excited hydrogen atoms

    International Nuclear Information System (INIS)

    Bayfield, J.E.; Luie, S.Y.; Perotti, L.C.; Skrzypkowski, M.P.

    1996-01-01

    As the peak electric field of the microwave pulse is increased, steps in the classical microwave ionization probability of the highly excited hydrogen atom are produced by phase-space metamorphosis. They arise from new layers of Kolmogorov-Arnold-Moser (KAM) islands being exposed as KAM surfaces are destroyed. Both quantum numerical calculations and laboratory experiments exhibit the ionization steps, showing that such metamorphoses influence pulsed semiclassical systems. copyright 1996 The American Physical Society

  11. Simple-design ultra-low phase noise microwave frequency synthesizers for high-performing Cs and Rb vapor-cell atomic clocks

    Energy Technology Data Exchange (ETDEWEB)

    François, B. [FEMTO-ST, CNRS, Université de Franche-Comté, 26 chemin de l’Epitaphe, 25030 Besançon (France); INRIM, Strada delle Cacce 91, 10135 Torino (Italy); Calosso, C. E.; Micalizio, S. [INRIM, Strada delle Cacce 91, 10135 Torino (Italy); Abdel Hafiz, M.; Boudot, R. [FEMTO-ST, CNRS, Université de Franche-Comté, 26 chemin de l’Epitaphe, 25030 Besançon (France)

    2015-09-15

    We report on the development and characterization of novel 4.596 GHz and 6.834 GHz microwave frequency synthesizers devoted to be used as local oscillators in high-performance Cs and Rb vapor-cell atomic clocks. The key element of the synthesizers is a custom module that integrates a high spectral purity 100 MHz oven controlled quartz crystal oscillator frequency-multiplied to 1.6 GHz with minor excess noise. Frequency multiplication, division, and mixing stages are then implemented to generate the exact output atomic resonance frequencies. Absolute phase noise performances of the output 4.596 GHz signal are measured to be −109 and −141 dB rad{sup 2}/Hz at 100 Hz and 10 kHz Fourier frequencies, respectively. The phase noise of the 6.834 GHz signal is −105 and −138 dB rad{sup 2}/Hz at 100 Hz and 10 kHz offset frequencies, respectively. The performances of the synthesis chains contribute to the atomic clock short term fractional frequency stability at a level of 3.1 × 10{sup −14} for the Cs cell clock and 2 × 10{sup −14} for the Rb clock at 1 s averaging time. This value is comparable with the clock shot noise limit. We describe the residual phase noise measurements of key components and stages to identify the main limitations of the synthesis chains. The residual frequency stability of synthesis chains is measured to be at the 10{sup −15} level for 1 s integration time. Relevant advantages of the synthesis design, using only commercially available components, are to combine excellent phase noise performances, simple-architecture, low-cost, and to be easily customized for signal output generation at 4.596 GHz or 6.834 GHz for applications to Cs or Rb vapor-cell frequency standards.

  12. Research Update: Hybrid organic-inorganic perovskite (HOIP thin films and solar cells by vapor phase reaction

    Directory of Open Access Journals (Sweden)

    Po-Shen Shen

    2016-09-01

    Full Text Available With the rapid progress in deposition techniques for hybrid organic-inorganic perovskite (HOIP thin films, this new class of photovoltaic (PV technology has achieved material quality and power conversion efficiency comparable to those established technologies. Among the various techniques for HOIP thin films preparation, vapor based deposition technique is considered as a promising alternative process to substitute solution spin-coating method for large-area or scale-up preparation. This technique provides some unique benefits for high-quality perovskite crystallization, which are discussed in this research update.

  13. Preparation of hydrogenated amorphous carbon films using a microsecond-pulsed DC capacitive-coupled plasma chemical vapor deposition system operated at high frequency up to 400 kHz

    Science.gov (United States)

    Mamun, Md Abdullah Al; Furuta, Hiroshi; Hatta, Akimitsu

    2018-06-01

    Hydrogenated amorphous carbon (a-C:H) films are deposited on silicon (Si) substrates using a high-repetition microsecond-pulsed DC plasma chemical vapor deposition (CVD) system from acetylene (C2H2) at a gas pressure of 15 Pa inside a custom-made vacuum chamber. The plasma discharge characteristics, hydrocarbon species, and the microstructure of the resulting films are examined at various pulse repetition rates from 50 to 400 kHz and a fixed duty cycle of 50%. The optical emission spectra confirmed the increase in electron excitation energy from 1.09 to 1.82 eV and the decrease in the intensity ratio of CH/C2 from 1.04 to 0.75 with increasing pulse frequency, indicating the enhanced electron impact dissociation of C2H2 gas. With increasing pulse frequency, the deposition rate gradually increased, reaching a maximum rate of 60 nm/min at 200 kHz, after which a progressive decrease was noted, whereas the deposition area was almost uniform for all the prepared films. Clear trends of increasing sp3 content (amorphization) and decreasing hydrogen (H) content in the films were observed as the pulse repetition rate increased, while most of the hydrogen atoms bonded to carbon atoms by sp3 hybridization rather than by sp2 hybridization.

  14. 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.

  15. 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)

  16. Surface modification of mixed-phase hydrogenated TiO{sub 2} and corresponding photocatalytic response

    Energy Technology Data Exchange (ETDEWEB)

    Samsudin, Emy Marlina [Nanotechnology and Catalysis Research Center, University of Malaya, 50603 Kuala Lumpur (Malaysia); Hamid, Sharifah Bee Abd, E-mail: sharifahbee@um.edu.my [Nanotechnology and Catalysis Research Center, University of Malaya, 50603 Kuala Lumpur (Malaysia); Juan, Joon Ching; Basirun, Wan Jefrey [Nanotechnology and Catalysis Research Center, University of Malaya, 50603 Kuala Lumpur (Malaysia); Kandjani, Ahmad Esmaeiljadeh [Centre of Advanced Materials and Industrial Chemistry, RMIT University, Melbourne 3001 (Australia)

    2015-12-30

    Graphical abstract: - Highlights: • Grayish-blue hydrogenated TiO{sub 2} powder with surface disorders. • Extension of photons absorption covering infrared region. • Presence of surface Ti{sup 3+} and oxygen vacancies facilitates photocatalytic activity. • Fewer formation of charge traps for hydrogenated TiO{sub 2}. • Superior photo-kinetics performance of hydrogenated TiO{sub 2}. - Abstract: Preparation of highly photo-activated TiO{sub 2} is achievable by hydrogenation at constant temperature and pressure, with controlled hydrogenation duration. The formation of surface disorders and Ti{sup 3+} is responsible for the color change from white unhydrogenated TiO{sub 2} to bluish-gray hydrogenated TiO{sub 2}. This color change, together with increased oxygen vacancies and Ti{sup 3+} enhanced the solar light absorption from UV to infra-red region. Interestingly, no band gap narrowing is observed. The photocatalytic activity in the UV and visible region is controlled by Ti{sup 3+} and oxygen vacancies respectively. Both Ti{sup 3+} and oxygen vacancies increases the electron density on the catalyst surface thus facilitates ·OH radicals formation. The lifespan of surface photo-excited electrons and holes are also sustained thus prevents charge carrier recombination. However, excessive amount of oxygen vacancies deteriorates the photocatalytic activity as it serves as charge traps. Hydrogenation of TiO{sub 2} also promotes the growth of active {0 0 1} facets and facilitates the photocatalytic activity by higher concentration of surface OH radicals. However, the growth of {0 0 1} facets is small and insignificant toward the overall photo-kinetics. This work also shows that larger role is played by Ti{sup 3+} and oxygen vacancies rather than the surface disorders created during the hydrogenation process. It also demonstrates the ability of hydrogenated TiO{sub 2} to absorb wider range of photons even though at a similar band gap as unhydrogenated TiO{sub 2}. In

  17. Gas phase detection of the NH-P hydrogen bond and importance of secondary interactions

    DEFF Research Database (Denmark)

    Møller, Kristian Holten; Hansen, Anne Schou; Kjærgaard, Henrik Grum

    2015-01-01

    bond compared to secondary interactions. We find that B3LYP favors the hydrogen bond and M06-2X favors the secondary interactions leading to under- and overestimation, respectively, of the hydrogen bond angle relative to a DF-LCCSD(T)-F12a calculated angle. The remaining functionals tested, B3LYP-D3, B......3LYP-D3BJ, CAM-B3LYP, and ωB97X-D, as well as MP2, show comparable contributions from the hydrogen bond and the secondary interactions and are close to DF-LCCSD(T)-F12a results....

  18. Thermodynamics of the production of condensed phases in the chemical vapor deposition of ZrC in the ZrCl{sub 4}–CH{sub 4}–H{sub 2}–Ar system

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Haiping [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Deng, Juanli, E-mail: dengjl@chd.edu.cn [School of Materials Science and Engineering, Chang' an University, Xi' an, Shaanxi 710064 (China); Yang, Lianli [College of Chemistry and Chemical Engineering, Xianyang Teachers College, Xianyang, Shaanxi 712000 (China); Cheng, Laifei; Luo, Lei; Zhu, Yan [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Su, Kehe [Key Laboratory of Space Applied Physics and Chemistry, Ministry of Education, School of Natural and Applied Sciences, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Zhang, Litong [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China)

    2014-05-02

    Production conditions of ZrC, Zr and C(graphite) condensed phases in the chemical vapor deposition process with ZrCl{sub 4}–CH{sub 4}–H{sub 2}–Ar precursor system have been investigated based on thermodynamic analyses using the FactSage code. The yields of condensed phases have been examined as functions of the injected reactant ratios of ZrCl{sub 4}/(ZrCl{sub 4} + CH{sub 4}), H{sub 2}/(ZrCl{sub 4} + CH{sub 4}) and Ar/(ZrCl{sub 4} + CH{sub 4}), the temperature and the pressure. The results show that the yields strongly depend on the molar ratios of the ZrCl{sub 4}/(ZrCl{sub 4} + CH{sub 4}) and H{sub 2}/(ZrCl{sub 4} + CH{sub 4}) injected reactant and on the temperature, but are insensitive to the inert gas Ar ratio and pressure. The co-deposition of ZrC with Zr or C(graphite) can be easily controlled by changing the ratios of ZrCl{sub 4}/CH{sub 4} and H{sub 2}/(ZrCl{sub 4} + CH{sub 4}). Process conditions such as high input amount of H{sub 2}, relatively low amount of Ar, low pressure and temperature above 1300 K are favorable for the deposition of ZrC. The results of this work will be helpful for further experimental investigation on different deposition conditions. - Highlights: • Control of the composition of deposits via adjustment of precursor ratios • Carbon enrichment can be avoided using a low amount of argon diluting gas. • The deposition process is significantly influenced by the presence of hydrogen.

  19. Methane Pyrolysis for Hydrogen & Carbon Nanotube Recovery from Sabatier Products, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Development of a microgravity and hypogravity compatible catalytic methane pyrolysis reactor is proposed to recover hydrogen which is lost as methane in the...

  20. High Hydrogen Thoraeus Rubber Gossamer Radiation Shielding for Human Protection, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — NanoSonic has recently developed ultra-lightweight, durable, high hydrogen containing Thoraeus Rubber™ nanocomposites that may serve as radiation protection for...

  1. Modeling, Testing and Deploying a Multifunctional Radiation Shielding / Hydrogen Storage Unit, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — This project addresses two vital problems for long-term space travel activities: radiation shielding and hydrogen storage for power and propulsion. While both...

  2. Rapid Hydrogen and Methane Sensors for Wireless Leak Detection, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Under NASA STTR NNK07EA39C, ASR&D developed passive surface acoustic wave (SAW) based hydrogen sensors that utilize Pd nanocluster films on self-assembled...

  3. In-Space Distributed Fiber Optic Hydrogen Leak Sensor, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Broadband Photonics Inc. proposes development of a patent-pending distributed fiber optic sensor for in-space hydrogen leak detection. Reliable and fast detection of...

  4. Integrated Microchannel Reformer/Hydrogen Purifier for Fuel Cell Power Systems, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Makel Engineering, Inc. (MEI) and Colorado School of Mines (CSM) propose to develop an integrated hydrogen generator and purifier system for conversion of in-situ...

  5. 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

  6. Preliminary risk analysis of an Hydrogen production plant using the reformed process of methane with vapor coupled to a high temperature nuclear reactor

    International Nuclear Information System (INIS)

    Flores y Flores, A.; Nelson E, P.F.; Francois L, J.L.

    2004-01-01

    It is necessary to identify the different types of dangers, as well as their causes, probabilities and consequences of the same ones, inside plants, industries and any process to classify the risks. This work is focused in particular to a study using the technical HAZOP (Hazard and Operability) for a plant of reformed of methane with vapor coupled to a nuclear reactor of the type HTTR (High Temperature Test Reactor), which is designed to be built in Japan. In particular in this study the interaction is analyzed between the nuclear reactor and the plant of reformed of methane with vapor. After knowing the possible causes of risk one it is built chart of results of HAZOP to have a better vision of the consequences of this faults toward the buildings and constructions, to people and the influence of the fault on each plant; for what there are proposed solutions to mitigate these consequences or to avoid them. The work is divided in three sections: a brief introduction about the technique of HAZOP; some important aspects of the plant of reformed of methane with vapor; and the construction of the chart of results of HAZOP. (Author)

  7. Measuring the hydrogen/deuterium exchange of proteins at high spatial resolution by mass spectrometry: overcoming gas-phase hydrogen/deuterium scrambling.

    Science.gov (United States)

    Rand, Kasper D; Zehl, Martin; Jørgensen, Thomas J D

    2014-10-21

    acidic conditions where the amide hydrogen exchange rate is slowed by many orders of magnitude). The ability to localize the individual deuterated residues (the spatial resolution) is determined by the size (typically ∼7-15 residues) and the number of peptic peptides. These peptides provide a relatively coarse-grained picture of the protein dynamics. A fundamental understanding of the relationship between protein function/dysfunction and conformational dynamics requires in many cases higher resolution and ultimately single-residue resolution. In this Account, we summarize our efforts to achieve single-residue deuterium levels in proteins by electron-based or laser-induced gas-phase fragmentation methods. A crucial analytical requirement for this approach is that the pattern of deuterium labeling from solution is retained in the gas-phase fragment ions. It is therefore essential to control and minimize any occurrence of gas-phase randomization of the solution deuterium label (H/D scrambling) during the MS experiment. For this purpose, we have developed model peptide probes to accurately measure the onset and extent of H/D scrambling. Our analytical procedures to control the occurrence of H/D scrambling are detailed along with the physical parameters that induce it during MS analysis. In light of the growing use of gas-phase dissociation experiments to measure the HDX of proteins in order to obtain a detailed characterization and understanding of the dynamic conformations and interactions of proteins at the molecular level, we discuss the perspectives and challenges of future high-resolution HDX-MS methodology.

  8. Noble metal catalyzed aqueous phase hydrogenation and hydrodeoxygenation of lignin-derived pyrolysis oil and related model compounds.

    Science.gov (United States)

    Mu, Wei; Ben, Haoxi; Du, Xiaotang; Zhang, Xiaodan; Hu, Fan; Liu, Wei; Ragauskas, Arthur J; Deng, Yulin

    2014-12-01

    Aqueous phase hydrodeoxygenation of lignin pyrolysis oil and related model compounds were investigated using four noble metals supported on activated carbon. The hydrodeoxygenation of guaiacol has three major reaction pathways and the demethylation reaction, mainly catalyzed by Pd, Pt and Rh, produces catechol as the products. The presence of catechol and guaiacol in the reaction is responsible for the coke formation and the catalysts deactivation. As expected, there was a significant decrease in the specific surface area of Pd, Pt and Rh catalysts during the catalytic reaction because of the coke deposition. In contrast, no catechol was produced from guaiacol when Ru was used so a completely hydrogenation was accomplished. The lignin pyrolysis oil upgrading with Pt and Ru catalysts further validated the reaction mechanism deduced from model compounds. Fully hydrogenated bio-oil was produced with Ru catalyst. Copyright © 2014 Elsevier Ltd. All rights reserved.

  9. Conceptual design and feasibility test of two-phase hydrogen thermal siphon system of CNS in CARR

    International Nuclear Information System (INIS)

    Bi Qincheng; Chen Tingkuan; Feng Quanke; Du Shejiao; Li Xiaoming; Wei Liang

    2004-01-01

    Conceptual design of the hydrogen system of cold neutron source (CNS) in China Advanced Research Reactor (CARR) was proposed, and feasibility test was carried out. In order to determine the void fraction in neutron moderator, the circulation ability of the two-phase hydrogen thermal siphon system, and the structure of components of the CNS, the mockup test was performed using Freon-113 as working fluid. To obtain the modeling criterion so that the above experimental results can be applied to the design of CARR, the bubble rising velocities in different liquids were investigated to study the effects of physical properties such as density, viscosity and surface tension on bubble rising velocity, void fraction and circulation ability

  10. Lattice site location of optical centers in GaN:Eu light emitting diode material grown by organometallic vapor phase epitaxy

    KAUST Repository

    Lorenz, K.; Alves, E.; Roqan, Iman S.; O’ Donnell, K. P.; Nishikawa, A.; Fujiwara, Y.; Boćkowski, M.

    2010-01-01

    Eu-doped GaN was grown by organometallic vapor phase epitaxy at temperatures from 900 to 1100 °C. Eu incorporation is influenced by temperature with the highest concentration found for growth at 1000 °C. In all samples, Eu is incorporated entirely on substitutional Ga sites with a slight displacement which is highest (∼0.2 Å) in the sample grown at 900 °C and mainly directed along the c-axis. The major optical Eu3+ centers are identical for in situdoped and ion-implanted samples after high temperature and pressure annealing. The dominant Eu3+luminescence lines are attributed to isolated, substitutional Eu.

  11. Improvement of electrical property of Si-doped GaN grown on r-plane sapphire by metalorganic vapor-phase epitaxy

    International Nuclear Information System (INIS)

    Kusakabe, K.; Furuzuki, T.; Ohkawa, K.

    2006-01-01

    Electrical property of Si-doped GaN layers grown on r-plane sapphire substrates by atmospheric metalorganic vapor-phase epitaxy was investigated. The electron mobility was drastically improved when GaN was grown by means of optimized combinations of growth temperature and low-temperature GaN buffer thickness. The highest room-temperature mobility of 220cm 2 /Vs was recorded at the carrier density of 1.1x10 18 cm -3 . Temperature dependence of electrical property revealed that the peak mobility of 234cm 2 /Vs was obtained at 249K. From the slope of carrier density as a function of inverse temperature, the activation energy of Si-donors was evaluated to be 11meV

  12. Development of a selection support expert system of mathematical models for dynamic simulation of liquid-vapor two-phase flow

    International Nuclear Information System (INIS)

    Gofuku, Akio; Shimizu, Kenji; Sugano, Keiji; Morimoto, Takashi; Yoshikawa, Hidekazu; Wakabayashi, Jiro

    1992-01-01

    This paper deals with computerized supporting techniques of a numerical simulation of complex and large-scale engineering systems like nuclear power plants. As an example of the intelligent support systems of dynamic simulation, a prototype expert system is developed on an expert system development tool to support the selection of mathematical model which is a first step of numerical simulation and is required both wide expert knowledge and high-level decision making. The expert system supports the selection of liquid-vapor two phase flow models (fluid model and constitutive equations) consistent with simulation purpose and condition in the case of thermal-hydraulic simulation of nuclear power plants. The possibility of the expert system is examined for various selection support cases by both investigation of the appropriateness of the selection support logic and comparison between support results and decision results of several experts. (author)

  13. Vapor phase epitaxial growth of FeS sub 2 pyrite and evaluation of the carrier collection in liquid-junction solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Ennaoui, A.; Schlichthoerl, G.; Fiechter, S.; Tributsch, H. (Hahn-Meitner-Inst., Abt. Solare Energetik und Materialforschung, Berlin (Germany))

    1992-01-01

    Photoactive epitaxial layers of FeS{sub 2} were grown using bromine as a transport agent and a simple closed ampoule technique. The substrates used were (100)-oriented slices of natural pyrite 1 mm thick. A vapor-liquid-solid (VLS) growth mechanism was elucidated by means of optical microscopy. Macrosteps, terrace surfaces and protuberances are often accompanied with the presence of liquid FeBr{sub 3} droplets. In the absence of a liquid phase growth hillocks are found. Localized photovoltaic response for the evaluation of carrier collection using a scanning laser spot system has been used to effectively locate and characterize non-uniformities present in the epitaxial thin films. (orig.).

  14. Growth of cubic GaN on a nitrided AlGaAs (001) substrate by using hydried vapor phase epitaxy

    International Nuclear Information System (INIS)

    Lee, H. J.; Yang, M.; Ahn, H. S.; Kim, K. H.; Yi, J. Y.; Jang, K. S.; Chang, J. H.; Kim, H. S.; Cho, C. R.; Kim, S. W.

    2006-01-01

    GaN layers were grown on AlGaAs (001) substrates by using hydride vapor phase epitaxy (HVPE). Growth parameters such as the nitridation temperature of the AlGaAs substrate and the growth rate of the GaN layer were found to be critical determinants for the growth of cubic GaN layer. Nitridation of the AlGaAs surface was performed in a NH 3 atmosphere at a temperature range of 550 - 700 .deg. C. GaN layers were grown at different growth rates on the nitrided AlGaAs substrates. The surface morphologies and the chemical constituents of the nitrided AlGaAs layers were characterized with scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). For the optical and the crystalline characterization of the GaN films, cathodoluminescence (CL) and X-ray diffraction (XRD) were carried out.

  15. Growth of single - crystals of Pb1-x Snx Te by vapor phase transport with the formation of a liquid/solid growth interface

    International Nuclear Information System (INIS)

    An, C.Y.; Bandeira, I.N.

    1985-01-01

    Due to segregation effects single-crystals of Pb 1-x Sn x Te growth by Bridgman techniques have an inhomogeneous composition profile. A vapor phase transport growth process has been developed in order to reduce convective flows. This is due to the very thin melt layer in front of the crystal, that makes convective flows small and solute mixing in the melt very low. By this process single-crystals with 60mm length by 15 mm diameter and a high degree of homogeneity have been grown. A process for determination of the exact composition profile by measurements of the crystal density, for isomorphous alloys of the type A 1-x B x , is also shown. (Author) [pt

  16. Structural and electrical properties of InAs/GaSb superlattices grown by metalorganic vapor phase epitaxy for midwavelength infrared detectors

    Energy Technology Data Exchange (ETDEWEB)

    Arikata, Suguru; Kyono, Takashi [Semiconductor Technologies Laboratory, Sumitomo Electric Industries, LTD., Hyogo (Japan); Miura, Kouhei; Balasekaran, Sundararajan; Inada, Hiroshi; Iguchi, Yasuhiro [Transmission Devices Laboratory, Sumitomo Electric Industries, LTD., Yokohama (Japan); Sakai, Michito [Sensor System Research Group, Japan Aerospace Exploration Agency (JAXA), Tsukuba, Ibaraki (Japan); Katayama, Haruyoshi [Space Technology Directorate I, Japan Aerospace Exploration Agency (JAXA), Tsukuba, Ibaraki (Japan); Kimata, Masafumi [College of Science and Engineering, Ritsumeikan University, Shiga (Japan); Akita, Katsushi [Sumiden Semiconductor Materials, LTD., Hyogo (Japan)

    2017-03-15

    InAs/GaSb superlattice (SL) structures were fabricated on GaSb substrates by metalorganic vapor phase epitaxy (MOVPE) toward midwavelength infrared (MWIR) photodiodes. Almost defect-free 200-period SLs with a strain-compensation interfacial layer were successfully fabricated and demonstrate an intense photoluminescence peak centered at 6.1 μm at 4 K and an external quantum efficiency of 31% at 3.5 μm at 20 K. These results indicate that the high-performance MWIR detectors can be fabricated in application with the InAs/GaSb SLs grown by MOVPE as an attractive method for production. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Lattice site location of optical centers in GaN:Eu light emitting diode material grown by organometallic vapor phase epitaxy

    KAUST Repository

    Lorenz, K.

    2010-09-16

    Eu-doped GaN was grown by organometallic vapor phase epitaxy at temperatures from 900 to 1100 °C. Eu incorporation is influenced by temperature with the highest concentration found for growth at 1000 °C. In all samples, Eu is incorporated entirely on substitutional Ga sites with a slight displacement which is highest (∼0.2 Å) in the sample grown at 900 °C and mainly directed along the c-axis. The major optical Eu3+ centers are identical for in situdoped and ion-implanted samples after high temperature and pressure annealing. The dominant Eu3+luminescence lines are attributed to isolated, substitutional Eu.

  18. Influence of the interface on growth rates in AlN/GaN short period superlattices via metal organic vapor phase epitaxy

    Science.gov (United States)

    Rodak, L. E.; Korakakis, D.

    2011-11-01

    AlN/GaN short period superlattices are well suited for a number of applications including, but not limited to, digital alloys, intersubband devices, and emitters. In this work, AlN/GaN superlattices with periodicities ranging from 10 to 20 Å have been grown via metal organic vapor phase epitaxy in order to investigate the influence of the interface on the binary alloy growth rates. The GaN growth rate at the interface was observed to decrease with increasing GaN thickness while the AlN growth rate remained constant. This has been attributed to a decrease in the decomposition rate of GaN at the hetero-interface as seen in other III-V hetero-structures.

  19. Surfactant effects of indium on cracking in AlN/GaN distributed Bragg reflectors grown via metal organic vapor phase epitaxy

    Science.gov (United States)

    Rodak, L. E.; Miller, C. M.; Korakakis, D.

    2011-01-01

    Aluminum Nitride (AlN) and Gallium Nitride (GaN) superlattice structures are often characterized by a network of cracks resulting from the large lattice mismatch and difference in thermal expansion coefficients, especially as the thickness of the layers increases. This work investigates the influence of indium as a surfactant on strain and cracking in AlN/GaN DBRs grown via Metal Organic Vapor Phase Epitaxy (MOVPE). DBRs with peak reflectivities ranging from 465 nm to 540 nm were grown and indium was introduced during the growth of the AlN layer. Image processing techniques were used to quantify the crack length per square millimeter and it was observed that indium has a significant effect on the crack formation and reduced the total crack length in these structures by a factor of two.

  20. A molecular dynamics study of nuclear quantum effect on the diffusion of hydrogen in condensed phase

    International Nuclear Information System (INIS)

    Nagashima, Hiroki; Tokumasu, Takashi; Tsuda, Shin-ichi; Tsuboi, Nobuyuki; Koshi, Mitsuo; Hayashie, A. Koichi

    2014-01-01

    In this paper, the quantum effect of hydrogen molecule on its diffusivity is analyzed using Molecular Dynamics (MD) method. The path integral centroid MD (CMD) method is applied for the reproduction method of time evolution of the molecules. The diffusion coefficient of liquid hydrogen is calculated using the Green-Kubo method. The simulation is performed at wide temperature region and the temperature dependence of the quantum effect of hydrogen molecule is addressed. The calculation results are compared with those of classical MD results. As a result, it is confirmed that the diffusivity of hydrogen molecule is changed depending on temperature by the quantum effect. It is clarified that this result can be explained that the dominant factor by quantum effect on the diffusivity of hydrogen changes from the swollening the potential to the shallowing the potential well around 30 K. Moreover, it is found that this tendency is related to the temperature dependency of the ratio of the quantum kinetic energy and classical kinetic energy

  1. Fluid phase equilibria of the reaction mixture during the selective hydrogenation of 2-butenal in dense carbon dioxide

    DEFF Research Database (Denmark)

    Musko, Nikolai; Jensen, Anker Degn; Baiker, Alfons

    2012-01-01

    Knowledge of the phase behaviour and composition is of paramount importance for understanding multiphase reactions. We have investigated the effect of the phase behaviour in the palladium-catalysed selective hydrogenation of 2-butenal to saturated butanal in dense carbon dioxide. The reactions were...... cell. The results of the catalytic experiments showed that small amounts of carbon dioxide added to the system significantly decrease the conversion, whereas at higher loadings of CO2 the reaction rate gradually increases reaching a maximum. The CPA calculations revealed that this maximum is achieved...... performed using a 5wt% Pd on activated carbon in custom-designed high pressure autoclaves at 323K. The Cubic-Plus-Association (CPA) equation of state was employed to model the phase behaviour of the experimentally studied systems. CPA binary interaction parameters were estimated based on the experimental...

  2. Optimization of total vaporization solid-phase microextraction (TV-SPME) for the determination of lipid profiles of Phormia regina, a forensically important blow fly species.

    Science.gov (United States)

    Kranz, William; Carroll, Clinton; Dixon, Darren; Picard, Christine; Goodpaster, John

    2017-11-01

    A new method has been developed for the determination of fatty acids, sterols, and other lipids which naturally occur within pupae of the blow fly Phormia regina. The method relies upon liquid extraction in non-polar solvent, followed by derivatization using N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) w/ 1% trimethylchlorsilane (TMCS) carried out inside the sample vial. The analysis is facilitated by total vaporization solid-phase microextraction (TV-SPME), with gas chromatography-mass spectrometry (GC-MS) serving as the instrumentation for analysis. The TV-SPME delivery technique is approximately a factor of five more sensitive than traditional liquid injection, which may alleviate the need for rotary evaporation, reconstitution, collection of high performance liquid chromatography fractions, and many of the other pre-concentration steps that are commonplace in the current literature. Furthermore, the ability to derivatize the liquid extract in a single easy step while increasing sensitivity represents an improvement over current derivatization methods. The most common lipids identified in fly pupae were various saturated and unsaturated fatty acids ranging from lauric acid (12:0) to arachinoic acid (20:4), as well as cholesterol. The concentrations of myristic acid (14:0), palmitelaidic acid (16:2), and palmitoleic acid (16:1) were the most reliable indicators of the age of the pupae. Graphical abstract Blow fly pupae were extracted prior to emerging as adults. The extracts were analyzed via total vaporization solid-phase microextraction (TV-SPME), revealing a complex mixture of lipids that could be associated with the age of the insect. This information may assist in determining a post-mortum interval (PMI) in a death investigation.

  3. 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.

  4. Phase 1 feasibility study of an integrated hydrogen PEM fuel cell system. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Luczak, F.

    1998-03-01

    Evaluated in the report is the use of hydrogen fueled proton exchange membrane (PEM) fuel cells for devices requiring less than 15 kW. Metal hydrides were specifically analyzed as a method of storing hydrogen. There is a business and technical part to the study that were developed with feedback from each other. The business potential of a small PEM product is reviewed by examining the markets, projected sales, and required investment. The major technical and cost hurdles to a product are also reviewed including: the membrane and electrode assembly (M and EA), water transport plate (WTP), and the metal hydrides. It was concluded that the best potential stationary market for hydrogen PEM fuel cell less than 15 kW is for backup power use in telecommunications applications.

  5. Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 1. Vapor-liquid equilibria

    DEFF Research Database (Denmark)

    Grenner, Andreas; Tsivintzelis, Ioannis; Economou, Ioannis

    2008-01-01

    for the models were taken from literature or estimated in this work. Generalized pure-component parameters were fitted to pure-component vapor-pressure and liquid-density data. For the majority of the mixtures examined, satisfactory results were obtained. For a number of mixtures, different modeling approaches...... were applied to improve the results, such as incorporation of cross-association between nonself-associating fluids or induced association for mixtures of polar nonassociating and self-associating fluids. For both models, the overall deviations from experimental data are similar, and none of the models...

  6. Photoluminescence and surface photovoltage spectroscopy characterization of highly strained InGaAs/GaAs quantum well structures grown by metal organic vapor phase epitaxy

    International Nuclear Information System (INIS)

    Chan, C.H.; Wu, J.D.; Huang, Y.S.; Hsu, H.P.; Tiong, K.K.; Su, Y.K.

    2010-01-01

    Photoluminescence (PL) and surface photovoltage spectroscopy (SPS) are used to characterize a series of highly strained In x Ga 1-x As/GaAs quantum well (QW) structures grown by metal organic vapor phase epitaxy with different indium compositions (0.395 ≤ x ≤ 0.44) in the temperature range of 20 K ≤ T ≤ 300 K. The PL features show redshift in peak positions and broadened lineshape with increasing indium composition. The S-shaped temperature dependent PL spectra have been attributed to carrier localization effect resulting from the presence of indium clusters at QW interfaces. A lineshape fit of features in the differential surface photovoltage (SPV) spectra has been used to determine the transition energies accurately. At temperature below 100 K, the light-hole (LH) related feature shows a significant phase difference as compared to that of heavy-hole (HH) related features. The phase change of the LH feature can be explained by the existence of type-II configuration for the LH valence band and the process of separation of carriers within the QWs together with possible capture by the interface defect traps. A detailed analysis of the observed phenomena enables the identification of spectral features and to evaluate the band lineup of the QWs. The results demonstrate the usefulness of PL and SPS for the contactless and nondestructive characterization of highly strained InGaAs/GaAs QW structures.

  7. Thin films of hydrogenated amorphous carbon (a-C:H) obtained through chemical vapor deposition assisted by plasma; Peliculas delgadas de carbono amorfo hidrogenado (a-C:H) obtenidas mediante deposito quimico de vapores asistido por plasma

    Energy Technology Data Exchange (ETDEWEB)

    Mejia H, J.A.; Camps C, E.E.; Escobar A, L.; Romero H, S.; Chirino O, S. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico); Muhl S, S. [IIM-UNAM, 04510 Mexico D.F. (Mexico)

    2004-07-01

    Films of hydrogenated amorphous carbon (a-C:H) were deposited using one source of microwave plasma with magnetic field (type ECR), using mixtures of H{sub 2}/CH{sub 4} in relationship of 80/20 and 95/05 as precursory gases, with work pressures of 4X10{sup -4} to 6x10{sup -4} Torr and an incident power of the discharge of microwaves with a constant value of 400 W. It was analyzed the influence among the properties of the films, as the deposit rate, the composition and the bonding types, and the deposit conditions, such as the flow rates of the precursory gases and the polarization voltage of the sample holders. (Author)

  8. Vapor Pressure Plus: An Experiment for Studying Phase Equilibria in Water, with Observation of Supercooling, Spontaneous Freezing, and the Triple Point

    Science.gov (United States)

    Tellinghuisen, Joel

    2010-01-01

    Liquid-vapor, solid-vapor, and solid-liquid-vapor equilibria are studied for the pure substance water, using modern equipment that includes specially fabricated glass cells. Samples are evaporatively frozen initially, during which they typically supercool to -5 to -10 [degrees]C before spontaneously freezing. Vacuum pumping lowers the temperature…

  9. Fast vaporization solid phase microextraction and ion mobility spectrometry: A new approach for determination of creatinine in biological fluids.

    Science.gov (United States)

    Jafari, Mostafa; Ebrahimzadeh, Homeira; Banitaba, Mohamma Hossein

    2015-11-01

    In this work a rapid and simple method for creatinine determination in urine and plasma samples based on aqueous derivatization of creatinine and complete vaporization of sample (as low as 10 µL), followed by ion mobility spectrometry analysis has been proposed. The effect of four important parameters (extraction temperature, total volume of solution, desorption temperature and extraction time) on ion mobility signal has been studied. Under the optimized conditions, the quantitative response of ion mobility spectrometry for creatinine was linear in the range of 0-500 mg L(-1) with a detection limit of 0.6 mg L(-1) in urine and 0-250 mg L(-1) with a detection limit of 2.6 mg L(-1) in plasma sample. The limit of quantitation of creatinine was 2.1 mg L(-1) and 8.7 mg L(-1) in urine and plasma samples, respectively. The relative standard deviation of the method was found to be 13%. The method was successfully applied to the analysis of creatinine in biological samples, showing recoveries from 92% to 104% in urine and 101-110% in plasma samples. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Detection of ethanol in alcoholic beverages or vapor phase using fluorescent molecules embedded in a nanofibrous polymer.

    Science.gov (United States)

    Akamatsu, Masaaki; Mori, Taizo; Okamoto, Ken; Komatsu, Hirokazu; Kumagai, Ken; Shiratori, Seimei; Yamamura, Masaki; Nabeshima, Tatsuya; Sakai, Hideki; Abe, Masahiko; Hill, Jonathan P; Ariga, Katsuhiko

    2015-03-25

    An alcohol sensor was developed using the solid-state fluorescence emission of terphenyl-ol (TPhOH) derivatives. Admixtures of TPhOH and sodium carbonate exhibited bright sky-blue fluorescence in the solid state upon addition of small quantities of ethanol. A series of terphenol derivatives was synthesized, and the effects of solvent polarities and the structures of these π-conjugated systems on their fluorescence were systematically investigated by using fluorescence spectroscopy. In particular, π-extended TPhOHs and TPhOHs containing electron-withdrawing groups exhibited significant solvatochromism, and fluorescence colors varied from blue to red. Detection of ethanol contents in alcohol beverages (detection limit ∼ 5 v/v %) was demonstrated using different TPhOHs revealing the effect of molecular structure on sensing properties. Ethanol contents in alcoholic beverages could be estimated from the intensity of the fluorescence elicited from the TPhOHs. Moreover, when terphenol and Na2CO3 were combined with a water-absorbent polymer, ethanol could be detected at lower concentrations. Detection of ethanol vapor (8 v/v % in air) was also accomplished using a nanofibrous polymer scaffold as the immobilized sensing film.

  11. 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

  12. 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

  13. 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

  14. Fiscal 2000 report on the Phase II R and D of the international hydrogen utilization clean energy network system technology (WE-NET). Task 11. Distributed transportation of hydrogen/hydrogen absorbing alloy for hydrogen storage; 2000 nendo suiso riyo kokusai clean energy system gijutsu (WE-NET) dai 2 ki kenkyu kaihatsu seika hokokusho. 11. Suiso bunsan yuso chozoyo suiso kyuzo gokin

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-03-01

    Studies were conducted to find out hydrogen absorbing alloys with an effective hydrogen absorption rate of 3 mass % or more, hydrogen discharge temperature of 100 degrees C or lower, hydrogen absorbing capacity after 5,000 cycles not less than 90% of the initial capacity, applicable to stationary and mobile systems. The V-based alloy that achieved an effective hydrogen absorption rate of 2.6 mass % in the preceding fiscal year was subjected to studies relating to safety and durability. Since V is costly, efforts were exerted to develop TiCrMo alloys to replace the V-based alloy. In the search for novel high-performance alloys, endeavors centered on novel ternary alloys, novel alloys based on Mg and Ti, and novel intermetallic compounds of the Mg-4 family. In the study of guidelines for developing next-generation high-performance alloys, methods for creating hydrides with an H/M (hydrogen/metal) ratio far higher than 2 were discussed. Mentioned as techniques to produce such hydrides were the utilization of the hole regulated lattice, novel alloys based on the ultrahigh pressure hydride phase, new substances making use of the cooperative phenomenon in the coexistent multiple-phase structure, and the like. (NEDO)

  15. Improved thermal stability of gas-phase Mg nanoparticles for hydrogen storage

    NARCIS (Netherlands)

    Krishnan, Gopi; Palasantzas, G.; Kooi, B. J.

    2010-01-01

    This work focuses on improving the thermal stability of Mg nanoparticles (NPs) for use in hydrogen storage. Three ways are investigated that can achieve this goal. (i) Addition of Cu prevents void formation during NP production and reduces the fast evaporation/voiding of Mg during annealing. (ii)

  16. Selective liquid phase hydrogenation of furfural to furfuryl alcohol by Ru/Zr-MOFs

    NARCIS (Netherlands)

    Yuan, Q.; Zhang, D.; Haandel, van L.; Ye, F.; Xue, T.; Hensen, E.J.M.; Guan, Y.

    2015-01-01

    Selective hydrogenation of furfural to furfuryl alcohol under mild conditions was evaluated over Ru nanoparticles supported on a series of zirconium based metal organic frameworks (UiO-66, UiO-67, Zr6-NDC, MIL-140A, MIL-140B, and MIL-140C). The particle size and oxidation state of Ru in the

  17. Phase II Final Project Report SBIR Project: "A High Efficiency PV to Hydrogen Energy System"

    Energy Technology Data Exchange (ETDEWEB)

    Slade, A; Turner, J; Stone, K; McConnell, R

    2008-09-02

    The innovative research conducted for this project contributed greatly to the understanding of generating low-cost hydrogen from solar energy. The project’s research identified two highly leveraging and complementary pathways. The first pathway is to dramatically increase the efficiency of converting sunlight into electricity. Improving solar electric conversion efficiency directly increases hydrogen production. This project produced a world record efficiency for silicon solar cells and contributed to another world record efficiency for a solar concentrator module using multijunction solar cells. The project’s literature review identified a second pathway in which wasted heat from the solar concentration process augments the electrolysis process generating hydrogen. One way to do this is to use a “heat mirror” that reflects the heat-producing infrared and transmits the visible spectrum to the solar cells; this also increases solar cell conversion efficiency. An economic analysis of this concept confirms that, if long-term concentrator photovoltaic (CPV) and solid-oxide electrolyzer cost goals can be achieved, hydrogen will be produced from solar energy cheaper than the cost of gasoline. The potential public benefits from this project are significant. The project has identified a potential energy source for the nation’s future electricity and transportation needs that is entirely “home grown” and carbon free. As CPV enter the nation’s utility markets, the opportunity for this approach to be successful is greatly increased. Amonix strongly recommends further exploration of this project’s findings.

  18. Ambient pressure microplasmas for the direct synthesis of Hydrogen Peroxide in the gas phase

    NARCIS (Netherlands)

    Vasko, C.A.; Bruggeman, P.J.

    2011-01-01

    In this work, a plasma generates hydrogen peroxide (H2O2) to be used for the insitu epoxidation of propene to propene oxide, a major bulk material in the chemical industry. Microplasmas can improve the overall cost-effectiveness of an industrial production process and are especially suitable for

  19. User's manual of BISHOP. A Bi-Phase, Sodium-Hydrogen-Oxygen system, chemical equilibrium calculation program

    International Nuclear Information System (INIS)

    Okano, Yasushi; Yamaguchi, Akira

    2001-07-01

    In an event of sodium leakage in liquid metal fast breeder reactors, liquid sodium flows out of piping, and droplet combustion might occur under a certain environmental condition. The combustion heat and reaction products should be evaluated in the sodium fire analysis codes for investigating the influence of the sodium leak age and fire incident. In order to analyze the reaction heat and products, the multi-phase chemical equilibrium calculation program for a sodium, oxygen and hydrogen system has been developed. The developed numerical program is named BISHOP, which denotes 'Bi-Phase, Sodium-Hydrogen-Oxygen, Chemical Equilibrium Calculation Program'. The Gibbs free energy minimization method is used because of the following advantages. Chemical species are easily added and changed. A variety of thermodynamic states, such as isothermal and isentropic changes, can be dealt with in addition to constant temperature and pressure processes. In applying the free energy minimization method to solve the multi-phase sodium reaction system, three new numerical calculation techniques are developed. One is theoretical simplification of phase description in equation system, the other is to extend the Gibbs free energy minimization method to a multi-phase system, and the last is to establish the efficient search for the minimum value. The reaction heat and products at the equilibrium state can be evaluated from the initial conditions, such as temperature, pressure and reactants, using BISHOP. This report describes the thermochemical basis of chemical equilibrium calculations, the system of equations, simplification models, and the procedure to prepare input data and usage of BISHOP. (author)

  20. 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

  1. 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.

  2. Gas-Phase Hydrogen-Deuterium Exchange Labeling of Select Peptide Ion Conformer Types: a Per-Residue Kinetics Analysis.

    Science.gov (United States)

    Khakinejad, Mahdiar; Kondalaji, Samaneh Ghassabi; Tafreshian, Amirmahdi; Valentine, Stephen J

    2015-07-01

    The per-residue, gas-phase hydrogen deuterium exchange (HDX) kinetics for individual amino acid residues on selected ion conformer types of the model peptide KKDDDDDIIKIIK have been examined using ion mobility spectrometry (IMS) and HDX-tandem mass spectrometry (MS/MS) techniques. The [M + 4H](4+) ions exhibit two major conformer types with collision cross sections of 418 Å(2) and 446 Å(2); the [M + 3H](3+) ions also yield two different conformer types having collision cross sections of 340 Å(2) and 367 Å(2). Kinetics plots of HDX for individual amino acid residues reveal fast- and slow-exchanging hydrogens. The contributions of each amino acid residue to the overall conformer type rate constant have been estimated. For this peptide, N- and C-terminal K residues exhibit the greatest contributions for all ion conformer types. Interior D and I residues show decreased contributions. Several charge state trends are observed. On average, the D residues of the [M + 3H](3+) ions show faster HDX rate contributions compared with [M + 4H](4+) ions. In contrast the interior I8 and I9 residues show increased accessibility to exchange for the more elongated [M + 4H](4+) ion conformer type. The contribution of each residue to the overall uptake rate showed a good correlation with a residue hydrogen accessibility score model calculated using a distance from charge site and initial incorporation site for nominal structures obtained from molecular dynamic simulations (MDS).

  3. 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.)

  4. Amorphous and crystalline aerosol particles interacting with water vapor: conceptual framework and experimental evidence for restructuring, phase transitions and kinetic limitations

    Directory of Open Access Journals (Sweden)

    T. Koop

    2009-12-01

    Full Text Available Interactions with water are crucial for the properties, transformation and climate effects of atmospheric aerosols. Here we present a conceptual framework for the interaction of amorphous aerosol particles with water vapor, outlining characteristic features and differences in comparison to crystalline particles. We used a hygroscopicity tandem differential mobility analyzer (H-TDMA to characterize the hydration and dehydration of crystalline ammonium sulfate, amorphous oxalic acid and amorphous levoglucosan particles (diameter ~100 nm, relative humidity 5–95% at 298 K. The experimental data and accompanying Köhler model calculations provide new insights into particle microstructure, surface adsorption, bulk absorption, phase transitions and hygroscopic growth. The results of these and related investigations lead to the following conclusions:

    (1 Many organic substances, including carboxylic acids, carbohydrates and proteins, tend to form amorphous rather than crystalline phases upon drying of aqueous solution droplets. Depending on viscosity and microstructure, the amorphous phases can be classified as glasses, rubbers, gels or viscous liquids.

    (2 Amorphous organic substances tend to absorb water vapor and undergo gradual deliquescence and hygroscopic growth at lower relative humidity than their crystalline counterparts.

    (3 In the course of hydration and dehydration, certain organic substances can form rubber- or gel-like structures (supramolecular networks and undergo transitions between swollen and collapsed network structures.

    (4 Organic gels or (semi-solid amorphous shells (glassy, rubbery, ultra-viscous with low molecular diffusivity can kinetically limit the uptake and release of water and may influence the hygroscopic growth and activation of aerosol particles as cloud condensation nuclei (CCN and ice nuclei (IN. Moreover, (semi-solid amorphous phases may influence the uptake of gaseous photo

  5. 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

  6. Paraffin/expanded graphite phase change composites with enhanced thermal conductivity prepared by implanted β-SiC nanowires with chemical vapor deposition method

    Science.gov (United States)

    Yin, Zhaoyu; Zhang, Xiaoguang; Huang, Zhaohui; Liu, Silin; Zhang, Weiyi; Liu, Yan'gai; Wu, Xiaowen; Fang, Minghao; Min, Xin

    2018-02-01

    Expanded graphite/β-SiC nanowires composites (ESNC) were prepared through chemical vapor deposition, and paraffin/expanded graphite/β-SiC nanowires composites (PESNC) were made through vacuum impregnation to overcome liquid leakage during phase transition and enhance the thermal conductivity of paraffin. Fourier transform infrared spectroscopy showed no chemical interactions between the paraffin and ESNC. Differential scanning calorimetry estimated the temperature and latent heat of PESNC during melting to 45.73 °C and 124.31 J g-1, respectively. The respective values of these quantities during freezing were recorded as 48.93 °C and 124.14 J g-1. The thermal conductivity of PESNC was estimated to 0.75 W mK-1, which was 3.26-folds that of pure paraffin (0.23 W mK-1). PESNC perfectly maintained its phase transition after 200 melting-freezing cycles. The resulting ideal thermal conductivity, good chemical stability, thermal properties and thermal reliability of PESNC are promising for use in energy efficient buildings and solar energy systems.

  7. The effects of processing conditions on the surface morphology and hydrophobicity of polyvinylidene fluoride membranes prepared via vapor-induced phase separation

    Science.gov (United States)

    Peng, Yuelian; Fan, Hongwei; Ge, Ju; Wang, Shaobin; Chen, Ping; Jiang, Qi

    2012-12-01

    The present investigation reveals how the surface morphology and the hydrophobicity of polyvinylidene fluoride (PVDF) membranes, which were prepared via a vapor-induced phase separation method, were affected by the initial PVDF content in the casting solution and the air temperature. The surface morphology was characterized with scanning electron microscopy. A ternary phase diagram of PVDF/N, N-dimethylacetamide/water was constructed to explain the formation mechanism of the different morphologies. The results show that different membrane morphologies and hydrophobicities can be obtained by changing the processing conditions. Low air temperature and high PVDF contents facilitate the crystallization process, resulting in the formation of a porous skin and particle morphology, which increases the hydrophobicity of the surface. High air temperature and low PVDF contents are favorable for the formation of a net-like surface morphology via spinodal decomposition and lead to a superhydrophobic surface. Theoretical calculations were performed to testify that the net-like surface was more favorable for superhydrophobicity than the particle-based surface.

  8. Pressure dependence of morphology and phase composition of SiC films deposited by microwave plasma chemical vapor deposition on cemented carbide substrates

    Energy Technology Data Exchange (ETDEWEB)

    Yu Shengwang, E-mail: bkdysw@yahoo.cn; Fan Pengwei; Tang Weizhong; Li Xiaojing; Hu Haolin; Hei Hongjun; Zhang Sikai; Lu Fanxiu

    2011-11-01

    SiC films were deposited on cemented carbide substrates by employing microwave plasma chemical vapor deposition method using tetramethylsilane (Si(CH{sub 3}){sub 4}) diluted in H{sub 2} as the precursor. Scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray diffraction and scratching technique were used to characterize morphology, composition, phases present and adhesion of the films. Experimental results show that the deposition pressure has great influence on morphologies and phase composition of the films. In sequence, SiC films with a cauliflower-like microstructure, granular films with terrace-featured SiC particles coexisting with Co{sub 2}Si compound and clusters of nanometer SiC nanoplatelets appear as a function of the deposition pressure. In terms of plasma density and substrate temperature, this sequential appearance of microstructures of SiC films was explained. Adhesion tests showed that among the three types of films studied, the films with the terrace-featured SiC particles have relatively higher adhesion. Such knowledge will be of importance when the SiC films are used as interlayer between diamond films and cemented carbide substrates.

  9. Pressure dependence of morphology and phase composition of SiC films deposited by microwave plasma chemical vapor deposition on cemented carbide substrates

    International Nuclear Information System (INIS)

    Yu Shengwang; Fan Pengwei; Tang Weizhong; Li Xiaojing; Hu Haolin; Hei Hongjun; Zhang Sikai; Lu Fanxiu

    2011-01-01

    SiC films were deposited on cemented carbide substrates by employing microwave plasma chemical vapor deposition method using tetramethylsilane (Si(CH 3 ) 4 ) diluted in H 2 as the precursor. Scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray diffraction and scratching technique were used to characterize morphology, composition, phases present and adhesion of the films. Experimental results show that the deposition pressure has great influence on morphologies and phase composition of the films. In sequence, SiC films with a cauliflower-like microstructure, granular films with terrace-featured SiC particles coexisting with Co 2 Si compound and clusters of nanometer SiC nanoplatelets appear as a function of the deposition pressure. In terms of plasma density and substrate temperature, this sequential appearance of microstructures of SiC films was explained. Adhesion tests showed that among the three types of films studied, the films with the terrace-featured SiC particles have relatively higher adhesion. Such knowledge will be of importance when the SiC films are used as interlayer between diamond films and cemented carbide substrates.

  10. Dual-Phase CsPbBr3 -CsPb2 Br5 Perovskite Thin Films via Vapor Deposition for High-Performance Rigid and Flexible Photodetectors.

    Science.gov (United States)

    Tong, Guoqing; Li, Huan; Li, Danting; Zhu, Zhifeng; Xu, Enze; Li, Guopeng; Yu, Linwei; Xu, Jun; Jiang, Yang

    2018-02-01

    Inorganic perovskites with special semiconducting properties and structures have attracted great attention and are regarded as next generation candidates for optoelectronic devices. Herein, using a physical vapor deposition process with a controlled excess of PbBr 2 , dual-phase all-inorganic perovskite composite CsPbBr 3 -CsPb 2 Br 5 thin films are prepared as light-harvesting layers and incorporated in a photodetector (PD). The PD has a high responsivity and detectivity of 0.375 A W -1 and 10 11 Jones, respectively, and a fast response time (from 10% to 90% of the maximum photocurrent) of ≈280 µs/640 µs. The device also shows an excellent stability in air for more than 65 d without encapsulation. Tetragonal CsPb 2 Br 5 provides satisfactory passivation to reduce the recombination of the charge carriers, and with its lower free energy, it enhances the stability of the inorganic perovskite devices. Remarkably, the same inorganic perovskite photodetector is also highly flexible and exhibits an exceptional bending performance (>1000 cycles). These results highlight the great potential of dual-phase inorganic perovskite films in the development of optoelectronic devices, especially for flexible device applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Exploring N-Rich Phases in Li(x)N(y) Clusters for Hydrogen Storage at Nanoscale.

    Science.gov (United States)

    Bhattacharya, Amrita; Bhattacharya, Saswata

    2015-09-17

    We have performed cascade genetic algorithm and ab initio atomistic thermodynamics under the framework of first-principles-based hybrid density functional theory to study the (meta-)stability of a wide range of Li(x)N(y) clusters. We found that hybrid xc-functional is essential to address this problem as a local/semilocal functional simply fails even to predict a qualitative prediction. Most importantly, we find that though in bulk lithium nitride, the Li-rich phase, that is, Li3N, is the stable stoichiometry; in small Li(x)N(y) clusters, N-rich phases are more stable at thermodynamic equilibrium. We further show that these N-rich clusters are promising hydrogen storage material because of their easy adsorption and desorption ability at respectively low (≤300 K) and moderately high temperature (≥600 K).

  12. Water adsorbate phases on ZnO and impact of vapor pressure on the equilibrium shape of nanoparticles

    Science.gov (United States)

    Kenmoe, Stephane; Biedermann, P. Ulrich

    2018-02-01

    ZnO nanoparticles are used as catalysts and have potential applications in gas-sensing and solar energy conversion. A fundamental understanding of the exposed crystal facets, their surface chemistry, and stability as a function of environmental conditions is essential for rational design and improvement of synthesis and properties. We study the stability of water adsorbate phases on the non-polar low-index (10 1 ¯ 0 ) and (11 2 ¯ 0 ) surfaces from low coverage to multilayers using ab initio thermodynamics. We show that phonon contributions and the entropies due to a 2D lattice gas at low coverage and multiple adsorbate configurations at higher coverage have an important impact on the stability range of water adsorbate phases in the (T,p) phase diagram. Based on this insight, we compute and analyze the possible growth mode of water films for pressures ranging from UHV via ambient conditions to high pressures and the impact of water adsorption on the equilibrium shape of nanoparticles in a humid environment. A 2D variant of the Wulff construction shows that the (10 1 ¯ 0 ) and (11 2 ¯ 0 ) surfaces coexist on 12-faceted prismatic ZnO nanoparticles in dry conditions, while in humid environment, the (10 1 ¯ 0 ) surface is selectively stabilized by water adsorption resulting in hexagonal prisms.

  13. Structural properties of hydrogen isotopes in solid phase in the context of inertial confinement fusion

    Directory of Open Access Journals (Sweden)

    Guerrero Carlo

    2013-11-01

    Full Text Available Quality of Deuterium-Tritium capsules is a critical aspect in Inertial Confinement Fusion. In this work, we present a Quantum Molecular Dynamics methodology able to model hydrogen isotopes and their structural molecular organisation at extreme pressures and cryogenic temperatures (< 15 K. Our study sets up the basis for a future analysis on the mechanical and structural properties of DT-ice in inertial confinement fusion (ICF target manufacturing conditions.

  14. Liquid-Phase Catalytic Transfer Hydrogenation of Furfural over Homogeneous Lewis Acid-Ru/C Catalysts.

    Science.gov (United States)

    Panagiotopoulou, Paraskevi; Martin, Nickolas; Vlachos, Dionisios G

    2015-06-22

    The catalytic performance of homogeneous Lewis acid catalysts and their interaction with Ru/C catalyst are studied in the catalytic transfer hydrogenation of furfural by using 2-propanol as a solvent and hydrogen donor. We find that Lewis acid catalysts hydrogenate the furfural to furfuryl alcohol, which is then etherified with 2-propanol. The catalytic activity is correlated with an empirical scale of Lewis acid strength and exhibits a volcano behavior. Lanthanides are the most active, with DyCl3 giving complete furfural conversion and a 97 % yield of furfuryl alcohol at 180 °C after 3 h. The combination of Lewis acid and Ru/C catalysts results in synergy for the stronger Lewis acid catalysts, with a significant increase in the furfural conversion and methyl furan yield. Optimum results are obtained by using Ru/C combined with VCl3 , AlCl3 , SnCl4 , YbCl3 , and RuCl3 . Our results indicate that the combination of Lewis acid/metal catalysts is a general strategy for performing tandem reactions in the upgrade of furans. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Ion Mobility Spectrometry-Mass Spectrometry Coupled with Gas-Phase Hydrogen/Deuterium Exchange for Metabolomics Analyses

    Science.gov (United States)

    Maleki, Hossein; Karanji, Ahmad K.; Majuta, Sandra; Maurer, Megan M.; Valentine, Stephen J.

    2018-02-01

    Ion mobility spectrometry-mass spectrometry (IMS-MS) in combination with gas-phase hydrogen/deuterium exchange (HDX) and collision-induced dissociation (CID) is evaluated as an analytical method for small-molecule standard and mixture characterization. Experiments show that compound ions exhibit unique HDX reactivities that can be used to distinguish different species. Additionally, it is shown that gas-phase HDX kinetics can be exploited to provide even further distinguishing capabilities by using different partial pressures of reagent gas. The relative HDX reactivity of a wide variety of molecules is discussed in light of the various molecular structures. Additionally, hydrogen accessibility scoring (HAS) and HDX kinetics modeling of candidate ( in silico) ion structures is utilized to estimate the relative ion conformer populations giving rise to specific HDX behavior. These data interpretation methods are discussed with a focus on developing predictive tools for HDX behavior. Finally, an example is provided in which ion mobility information is supplemented with HDX reactivity data to aid identification efforts of compounds in a metabolite extract.

  16. Hydrogen production by supercritical water gasification of biomass. Phase 1 -- Technical and business feasibility study, technical progress report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-01

    The nine-month Phase 1 feasibility study was directed toward the application of supercritical water gasification (SCWG) for the economical production and end use of hydrogen from renewable energy sources such as sewage sludge, pulp waste, agricultural wastes, and ultimately the combustible portion of municipal solid waste. Unique in comparison to other gasifier systems, the properties of supercritical water (SCW) are ideal for processing biowastes with high moisture content or contain toxic or hazardous contaminants. During Phase I, an end-to-end SCWG system was evaluated. A range of process options was initially considered for each of the key subsystems. This was followed by tests of sewage sludge feed preparation, pumping and gasification in the SCW pilot plant facility. Based on the initial process review and successful pilot-scale testing, engineering evaluations were performed that defined a baseline system for the production, storage and end use of hydrogen. The results compare favorably with alternative biomass gasifiers currently being developed. The results were then discussed with regional wastewater treatment facility operators to gain their perspective on the proposed commercial SCWG systems and to help define the potential market. Finally, the technical and business plans were developed based on perceived market needs and the projected capital and operating costs of SCWG units. The result is a three-year plan for further development, culminating in a follow-on demonstration test of a 5 MT/day system at a local wastewater treatment plant.

  17. 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.

  18. Loss of ammonia during electron-transfer dissociation of deuterated peptides as an inherent gauge of gas-phase hydrogen scrambling

    DEFF Research Database (Denmark)

    Rand, Kasper D; Zehl, Martin; Jensen, Ole Nørregaard

    2010-01-01

    detected by a depletion of deuterium when deuterated ammonia is lost from peptides during ETD. This straightforward method requires no modifications to the experimental workflow and has the great advantage that the occurrence of hydrogen scrambling can be directly detected in the actual peptides analyzed......The application of electron-transfer dissociation (ETD) to obtain single-residue resolution in hydrogen exchange-mass spectrometry (HX-MS) experiments has recently been demonstrated. For such measurements, it is critical to ensure that the level of gas-phase hydrogen scrambling is negligible. Here...... we utilize the abundant loss of ammonia upon ETD of peptide ions as a universal reporter of positional randomization of the exchangeable hydrogens (hydrogen scrambling) during HX-ETD experiments. We show that the loss of ammonia from peptide ions proceeds without depletion of deuterium when employing...

  19. Two-phase anaerobic digestion of mixed waste streams to separate generation of bio-hydrogen and bio-methane

    Energy Technology Data Exchange (ETDEWEB)

    Siddiqui, Z.; Horam, N.J. [Leeds Univ. (United Kingdom). School of Civil Engineering

    2010-07-01

    The purpose of this study was to investigate the net energy potential of single stage mesophilic reactor and two phase mesophilic reactor (hydrogeniser followed by methaniser) using the mix of process industrial food waste (IFW) and sewage sludge (SS). Two-phase reactor efficiency was analysed based on individual optimum influent/environmental (C:N and pH) and reactor/engineering (HRT and OLR) conditions achieved using the batch and continuous reactor study for the hydrogen and methane. Optimum C:N 20 and pH 5.5{+-}0.5 was observed using the Bio-H{sub 2} potential (BHP) and C:N 15 and pH 6.5{+-}0.3 for the biochemical methane potential (BMP) test. The maximum hydrogen content of 47% (v/v) was achieved using OLR 6 g VS/L/d and HRT of 5 days. Increase in hydrogen yield was noticed with consistent decrease in OLR. The volatile solids (VS) removal and hydrogen yield was observed in range 41.3 to 47% and 112.3 to 146.7 mL/ gVS{sub removed}. The specific hydrogen production rate improved at low OLR, 0.2 to 0.4 L/(L.d) using OLR 7.1 and 6 g VS/L/d respectively was well corroborated comparable to previous reported results at OLR 6 gVS/L/d using the enriched carbohydrate waste stream in particular to food wastes. A significant increase in VFA concentrations were noticed shifting OLR higher from 6 g VS/L/d thereby unbalancing the reactor pH and the biogas yield respectively. In similar, maximum methane content of 70% (v/v) was achieved using OLR of 3.3 gVS/L/d and HRT of 10 days. Slight decrease in methane content was noticed thereby increasing HRT to 12 and 15 days respectively. The volatile solids (VS) removal and specific methane production rate was observed in range 57.6 to 68.7 and 0.22 to 1.19 L/(L.d). The specific methane production potential improved thereby reducing the HRT and optimum yield was recorded as 476.6 mL/gVS{sub removed} using OLR 3.3 gVS/L/d. The energy potential of optimum condition in single stage hydorgeniser is 2.27 MW/tonne VS{sub fed}. Using the

  20. 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).