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Sample records for gas phase stability

  1. Gas phase ion chemistry

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

  2. The Stability of CI02 as a Product of Gas Phase Decontamination Treatments

    Simmons, D. W.

    1994-01-01

    The gas phase decontamination project is investigating the use of chlorine trifluoride (ClF 3 ) to fluorinate nonvolatile uranium deposits to produce uranium hexafluoride (UF 6 ) gas. The potential existence of chlorine dioxide (ClO 2 ) during gas phase decontamination with ClF 3 has been the subject of recent safety discussions. Some of the laboratory data collected during feasibility studies of the gas phase process has been evaluated for the presence of ClO 2 in the product gas stream. The preliminary evidence to date can be summarized as follows: (1) ClO 2 was not detected in the flow loop in the absence of ClF 3 ; (2) ClO 2 was not detected in the static reactors in the absence of both ClF 3 and ClF; and (3) ClO 2 was detected in a static reactor in the absence of all fluorinating gases. The experimental evidence suggests that ClO 2 will not exist in the presence of ClF 3 , ClF, or UF 6 . The data analyzed to date is insufficient to determine the stability of ClO 2 in the presence of ClO 2 F. Thermodynamic calculations of the ClF 3 + H 2 O system support the experimental evidence, and suggest that ClO 2 will not exist in the presence of ClO 2 F. Additional experimental efforts are needed to provide a better understanding of the gas phase ClF 3 treatments and the product gases. However, preliminary evidence to date suggests that ClO 2 should not be present as a product during the normal operations of the gas phase decontamination project

  3. The Stability of CI02 as a Product of Gas Phase Decontamination Treatments

    D. W. Simmons

    1994-09-01

    The gas phase decontamination project is investigating the use of chlorine trifluoride (ClF{sub 3}) to fluorinate nonvolatile uranium deposits to produce uranium hexafluoride (UF{sub 6}) gas. The potential existence of chlorine dioxide (ClO{sub 2}) during gas phase decontamination with ClF{sub 3} has been the subject of recent safety discussions. Some of the laboratory data collected during feasibility studies of the gas phase process has been evaluated for the presence of ClO{sub 2} in the product gas stream. The preliminary evidence to date can be summarized as follows: (1) ClO{sub 2} was not detected in the flow loop in the absence of ClF{sub 3}; (2) ClO{sub 2} was not detected in the static reactors in the absence of both ClF{sub 3} and ClF; and (3) ClO{sub 2} was detected in a static reactor in the absence of all fluorinating gases. The experimental evidence suggests that ClO{sub 2} will not exist in the presence of ClF{sub 3}, ClF, or UF{sub 6}. The data analyzed to date is insufficient to determine the stability of ClO{sub 2} in the presence of ClO{sub 2}F. Thermodynamic calculations of the ClF{sub 3} + H{sub 2}O system support the experimental evidence, and suggest that ClO{sub 2} will not exist in the presence of ClO{sub 2}F. Additional experimental efforts are needed to provide a better understanding of the gas phase ClF{sub 3} treatments and the product gases. However, preliminary evidence to date suggests that ClO{sub 2} should not be present as a product during the normal operations of the gas phase decontamination project.

  4. Effectiveness of the Vertical Gas Ventilation Pipes for Promoting Waste Stabilization in Post-Closure Phase

    Yasumasa Tojo

    2015-06-01

    Full Text Available To make inside of the municipal solid waste (MSW landfill aerobic as much as possible is thought to be preferable for promoting waste stabilization, reducing pollutant's load in leachate, minimizing greenhouse gas emission and shortening post-closure-care period. In Japan, installation of semi-aerobic landfill structure has widely spread in order to promote waste stabilization in MSW landfill from 1980s. In semi-aerobic landfill structure, outlet of main leachate collection pipe is opened to atmosphere. Heat generated by aerobic degradation of waste causes natural convection and natural aeration arises from the outlet of leachate collection pipe to the gas vents. It is so-called stack effect. This air flow is thought to be effective for purifying leachate flowing through drainage layer and leachate collection pipes. And it is also thought to be contributing to expanding aerobic region in waste layer in landfill. Recently, measures attempting the promotion of waste stabilization are taken at several landfills at where stabilization of waste delays, in which many vertical gas vents are newly installed and close structure to semi-aerobic landfill is created. However, in many cases, these gas vents are not connected to leachate collection pipes. Many vertical gas vents are just installed without scientific proof regarding whether they can contribute for waste stabilization. In this study, how such installation of gas vents is effective for waste stabilization and aerobization of waste layer was discussed by numerical analysis. In numerical analysis, heat transfer, gas movement by pressure, gas diffusion, biological degradation of organic matter, and heat generation by biodegradation were taken into account. Simulations were carried out by using the general purpose simulator of finite element method. Three types of landfill structure were assumed. As the results, the following information were obtained. In dig-down type landfill, installation of gas

  5. Stability analysis of unsaturated soil slope during rainfall infiltration using coupled liquid-gas-solid three-phase model

    Dong-mei Sun

    2016-07-01

    Full Text Available Generally, most soil slope failures are induced by rainfall infiltration, a process that involves interactions between the liquid phase, gas phase, and solid skeleton in an unsaturated soil slope. In this study, a loosely coupled liquid-gas-solid three-phase model, linking two numerical codes, TOUGH2/EOS3, which is used for water-air two-phase flow analysis, and FLAC3D, which is used for mechanical analysis, was established. The model was validated through a documented water drainage experiment over a sandy column and a comparison of the results with measured data and simulated results from other researchers. The proposed model was used to investigate the features of water-air two-phase flow and stress fields in an unsaturated soil slope during rainfall infiltration. The slope stability analysis was then performed based on the simulated water-air two-phase seepage and stress fields on a given slip surface. The results show that the safety factor for the given slip surface decreases first, then increases, and later decreases until the rainfall stops. Subsequently, a sudden rise occurs. After that, the safety factor decreases continually and reaches its lowest value, and then increases slowly to a steady value. The lowest value does not occur when the rainfall stops, indicating a delayed effect of the safety factor. The variations of the safety factor for the given slip surface are therefore caused by a combination of pore-air pressure, matric suction, normal stress, and net normal stress.

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

    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)

  7. The Contribution of the Activation Entropy to the Gas-Phase Stability of Modified Nucleic Acid Duplexes

    Hari, Yvonne; Dugovič, Branislav; Istrate, Alena; Fignolé, Annabel; Leumann, Christian J.; Schürch, Stefan

    2016-07-01

    Tricyclo-DNA (tcDNA) is a sugar-modified analogue of DNA currently tested for the treatment of Duchenne muscular dystrophy in an antisense approach. Tandem mass spectrometry plays a key role in modern medical diagnostics and has become a widespread technique for the structure elucidation and quantification of antisense oligonucleotides. Herein, mechanistic aspects of the fragmentation of tcDNA are discussed, which lay the basis for reliable sequencing and quantification of the antisense oligonucleotide. Excellent selectivity of tcDNA for complementary RNA is demonstrated in direct competition experiments. Moreover, the kinetic stability and fragmentation pattern of matched and mismatched tcDNA heteroduplexes were investigated and compared with non-modified DNA and RNA duplexes. Although the separation of the constituting strands is the entropy-favored fragmentation pathway of all nucleic acid duplexes, it was found to be only a minor pathway of tcDNA duplexes. The modified hybrid duplexes preferentially undergo neutral base loss and backbone cleavage. This difference is due to the low activation entropy for the strand dissociation of modified duplexes that arises from the conformational constraint of the tc-sugar-moiety. The low activation entropy results in a relatively high free activation enthalpy for the dissociation comparable to the free activation enthalpy of the alternative reaction pathway, the release of a nucleobase. The gas-phase behavior of tcDNA duplexes illustrates the impact of the activation entropy on the fragmentation kinetics and suggests that tandem mass spectrometric experiments are not suited to determine the relative stability of different types of nucleic acid duplexes.

  8. Electron induced formation and stability of molecular and cluster ions in gas phase and superfluid helium nanodroplets

    Aleem, M. A.

    2010-01-01

    The present PhD thesis represents a broad range study of electron induced formation and stability of positive and negative ions in gas phase and superfluid helium nanodroplets. The molecules studied are of industrial, environmental, plasma and biological relevance. The knowledge obtained from the study provides new insight for the proper understanding and control on energetics and dynamics of the reactions involved in the formation and fragmentation processes of the studied molecules and clusters. The experiments are accomplished and investigated using mass spectrometric techniques for the formation of molecular and cluster ions using different mass spectrometers available in our laboratory. One part of the work is focused on electron-induced reactions of the molecules in gas phase. Especially focus is laid to electron attachment to the isomers of mononitrotolouene used as an additive to explosives. The fragile nature and high internal energy of these molecules has lead to extensive fragmentation following the ionisation process. Dissociative electron attachment to the three different isomers has shown different resonances and therefore this process can be utilized to explicitly distinguish these isomers. Anion efficiency curves of the isomers have been studied using effusive molecular beam source in combination with a hemispherical electron monochromator as well as a Nier-type ion source attached to a sector field mass spectrometer. The outcome of the experiment is a reliable and effective detection method highly desirable for environmental and security reasons. Secondly, dissociative electron ionization of acetylene and propene is studied and their data is directly related to the plasma modelling for plasma fusion and processing reactors. Temperature effects for dissociative electron attachment to halo-hydrocarbons are also measured using a trochoidal electron monochromator. The second part of the work is concerned with the investigation of electron

  9. Gas Phase Nanoparticle Synthesis

    Granqvist, Claes; Kish, Laszlo; Marlow, William

    This book deals with gas-phase nanoparticle synthesis and is intended for researchers and research students in nanomaterials science and engineering, condensed matter physics and chemistry, and aerosol science. Gas-phase nanoparticle synthesis is instrumental to nanotechnology - a field in current focus that raises hopes for environmentally benign, resource-lean manufacturing. Nanoparticles can be produced by many physical, chemical, and even biological routes. Gas-phase synthesis is particularly interesting since one can achieve accurate manufacturing control and hence industrial viability.

  10. Gas phase ion chemistry

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

  11. Solid gas reaction phase diagram under high gas pressure

    Ishizaki, K.

    1992-01-01

    This paper reports that to evaluate which are the stable phases under high gas pressure conditions, a solid-gas reaction phase diagram under high gas pressure (HIP phase diagram) has been proposed by the author. The variables of the diagram are temperature, reactant gas partial pressure and total gas pressure. Up to the present time the diagrams have been constructed using isobaric conditions. In this work, the stable phases for a real HIP process were evaluated assuming an isochoric condition. To understand the effect of the total gas pressure on stability is of primary importance. Two possibilities were considered and evaluated, those are: the total gas pressure acts as an independent variable, or it only affects the fugacity values. The results of this work indicate that the total gas pressure acts as an independent variable, and in turn also affects the fugacity values

  12. GAS PHASE STRUCTURE AND STABILITY OF COMPLEX FORMED BY H2O, NH3, H2S AND THEIR METHYL DERIVATIVES WITH THE CATION CO2+

    Cahyorini Kusumawardani

    2010-06-01

    Full Text Available Ab initio molecular orbital calculations at the Hartree-Fock-Self Consistent Field (HF-SCF have been performed in order to determine the structure and gas phase energies of complex formed by the Lewis bases of H2O, NH3, H2S and their methyl derivatives with the cation Co2+. The relative basicities of the base studied depend on both the substituent. The gas-phase interaction energies computed by the SCF method including electron correlation Møller-Plesset 2 (MP2 dan Configuration Iteration (CI were comparable in accuracy. The binding energies computed by these two methods reach the targeted chemical accuracy.   Keywords: ab initio calculation, cobalt complex, structure stability

  13. Gas phase pulse radiolysis

    Jonah, C.D.; Andong Liu; Mulac, W.A.

    1987-01-01

    Gas phase pulse radiolysis, a technique which can be used to study many different phenomena in chemistry and physics, is discussed. As a source of small radicals, pulse radiolysis is important to the field of chemistry, particularly to combustion and atmospheric kinetics. The reactions of 1,3-butadiene, allene, ethylene and acetylene with OH are presented. 52 refs., 1 fig., 1 tab

  14. Gas-Phase Thermolyses

    Carlsen, Lars; Egsgaard, Helge

    1982-01-01

    The unimolecular gas-phase thermolyses of 1,2,3-oxadithiolan 2-oxide and thiiran 1-oxide have been studied by the flash vacuum thermolysis–field ionization mass spectrometry (f.v.t.–f.i.m.s.) technique in the temperature range from 1 043 to 1 404 K. The reactions are rationalized in terms of sulp...

  15. Gas-Phase Thermolyses

    Carlsen, Lars; Egsgaard, Helge

    1982-01-01

    The unimolecular gas-phase thermolyses of the four methyl and ethyl monothioacetates (5)–(8) have been studied by the flash vacuum thermolysis–field ionization mass spectrometry technique in the temperature range 883–1 404 K. The types of reactions verified were keten formation, thiono–thiolo rea...

  16. Computation of liquid-liquid equilibria and phase stabilities: implications for RH-dependent gas/particle partitioning of organic-inorganic aerosols

    A. Zuend

    2010-08-01

    Full Text Available Semivolatile organic and inorganic aerosol species partition between the gas and aerosol particle phases to maintain thermodynamic equilibrium. Liquid-liquid phase separation into an organic-rich and an aqueous electrolyte phase can occur in the aerosol as a result of the salting-out effect. Such liquid-liquid equilibria (LLE affect the gas/particle partitioning of the different semivolatile compounds and might significantly alter both particle mass and composition as compared to a one-phase particle. We present a new liquid-liquid equilibrium and gas/particle partitioning model, using as a basis the group-contribution model AIOMFAC (Zuend et al., 2008. This model allows the reliable computation of the liquid-liquid coexistence curve (binodal, corresponding tie-lines, the limit of stability/metastability (spinodal, and further thermodynamic properties of multicomponent systems. Calculations for ternary and multicomponent alcohol/polyol-water-salt mixtures suggest that LLE are a prevalent feature of organic-inorganic aerosol systems. A six-component polyol-water-ammonium sulphate system is used to simulate effects of relative humidity (RH and the presence of liquid-liquid phase separation on the gas/particle partitioning. RH, salt concentration, and hydrophilicity (water-solubility are identified as key features in defining the region of a miscibility gap and govern the extent to which compound partitioning is affected by changes in RH. The model predicts that liquid-liquid phase separation can lead to either an increase or decrease in total particulate mass, depending on the overall composition of a system and the particle water content, which is related to the hydrophilicity of the different organic and inorganic compounds. Neglecting non-ideality and liquid-liquid phase separations by assuming an ideal mixture leads to an overestimation of the total particulate mass by up to 30% for the composition and RH range considered in the six

  17. Gas-Phase Thermolysis

    Carlsen, Lars; Egsgaard, Helge; Schaumann, Ernst

    1980-01-01

    The unimolecular gas-phase thermolytic decomposition of three silylated thionocarboxylic acid derivatives (2b), (3), and (8) have been studied by the flash vacuum thermolysis–field ionization mass spectrometry technique in the temperature range from 783 to 1 404 K in order to elucidate its possible...... applicability as a route to thioketens. Only very minor amounts of the expected thioketens were found, whereas the corresponding ketens were obtained as the major products. A possible mechanism for keten formation is discussed....

  18. Laboratory Studies of Stabilities of Heterocyclic Aromatic Molecules: Suggested Gas Phase Ion-Molecule Routes to Production in Interstellar Gas Clouds

    Adams, Nigel G.; Fondren, L. Dalila; McLain, Jason L.; Jackson, Doug M.

    2006-01-01

    Several ring compounds have been detected in interstellar gas clouds, ISC, including the aromatic, benzene. Polycyclic aromatic hydrocarbons, PAHs, have been implicated as carriers of diffuse interstellar bands (DIBs) and unidentified infrared (UIR) bands. Heterocyclic aromatic rings of intermediate size containing nitrogen, possibly PreLife molecules, were included in early searches but were not detected and a recent search for Pyrimidine was unsuccessful. Our laboratory investigations of routes to such molecules could establish their existence in ISC and suggest conditions under which their concentrations would be maximized thus aiding the searches. The stability of such ring compounds (C5H5N, C4H4N2, C5H11N and C4H8O2) has been tested in the laboratory using charge transfer excitation in ion-molecule reactions. The fragmentation paths, including production of C4H4(+), C3H3N(+) and HCN, suggest reverse routes to the parent molecules, which are presently under laboratory investigation as production sources.

  19. Phase stability in yttria-stabilized zirconia from first principles

    Carbogno, Christian; Scheffler, Matthias [Materials Department, University of California, Santa Barbara, CA (United States); Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin (Germany); Levi, Carlos G.; Van de Walle, Chris G. [Materials Department, University of California, Santa Barbara, CA (United States)

    2012-07-01

    Zirconia based ceramics are of pivotal importance for a variety of industrial technologies, e.g., for thermal barrier coatings in gas and airplane turbines. Naturally, the stability of such coatings at elevated temperatures plays a critical role in these applications. It is well known that an aliovalent doping of tetragonal ZrO{sub 2} with yttria, which induces oxygen vacancies due to charge conservation, increases its thermodynamic stability. However, the atomistic mechanisms that determine the phase stability of such yttria-stabilized Zirconia (YSZ) coatings are not yet fully understood. In this work, we use density functional theory calculations to assess the electronic structure of the different YSZ polymorphs at various levels of doping. With the help of population analysis schemes, we are able to unravel the intrinsic mechanisms that govern the interaction in YSZ and that can so explain the relative stabilities of the various polymorphs. We critically compare our results to experimental measurements and discuss the implications of our findings with respect to other oxides.

  20. Study of chemical stability of lemon oil components in sodium caseinate-lactose glycoconjugate-stabilized oil-in-water emulsions using solid-phase microextraction-gas chromatography.

    Sabik, Hassan; Achouri, Allaoua; Alfaro, Maria; Pelletier, Marylène; Belanger, Denis; Britten, Michel; Fustier, Patrick

    2014-07-25

    A headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC/MS) method was developed to quantify lemon oil components and their degradation products in oil-in-water (O/W) emulsions prepared with sodium caseinate-heated-lactose (NaC-T + Lact) glycoconjugates as wall materials at two pH values (3.0 and 6.8). NaC-T + Lact conjugates had a significantly lower solubility at both pHs. Hydrolysis prior to glycation enhanced the solubility of glycoconjugates. Glycation with lactose did not improve the emulsion activity of NaC, while caseinate glycoconjugates showed much stronger antioxidant activity than the NaC-control sample. This might be due to the presence of melanoidins formed between the sugar and amino acid compounds as supported by the increase in browning intensity. Among the SPME-fibres tested, carboxen/polydimethylsiloxane (CAR/PDMS) provided better results in terms of sensitivity and selectivity for oil lemon components and their degradation products. Storage studies of these emulsions demonstrated that glycated NaC-T + Lact showed protection against peroxidation compared to the control. However, acidic pH conditions altered their stability over storage time. The major off-flavor components (α-terpineol and carvone) were inhibited in emulsions stabilized with glycated NaC, particularly at pH 6.8. The use of NaC-T + Lact conjugates showed improved encapsulation efficiency and stability and could be used as potential food ingredient-emulsifiers for stabilising citrus oils against oxidative degradation in food and beverage applications.

  1. Power stabilized CO2 gas transport laser

    Foster, J.D.; Kirk, R.F.; Moreno, F.E.; Ahmed, S.A.

    1975-01-01

    The output power of a high power (1 kW or more) CO 2 gas transport laser is stabilized by flowing the gas mixture over copper plated baffles in the gas channel during operation of the laser. Several other metals may be used instead of copper, for example, nickel, manganese, palladium, platinum, silver and gold. The presence of copper in the laser gas circuit stabilizes output power by what is believed to be a compensation of the chemical changes in the gas due to the cracking action of the electrical discharge which has the effect of diminishing the capactiy of the carbon dioxide gas mixture to maintain the rated power output of the laser. (U.S.)

  2. Phase transition stability within ceramics

    Wang, E.; Wang, D.

    1992-01-01

    Irreversible thermodynamics is applied to analyse nucleation, both in metals and ceramics, in order to distinguish the stability of metastable under cooled melts. The hypothesis of local equilibrium has been used to apply research results from equilibrium thermodynamics, for the study of irreversible processes. The under cooling equation for homogenous nucleation only depends on a coefficient which is not related to the melting point of the material. The calculated critical under cooling values for metals are compared with experimental data. The metastable phase formation of plasma-sprayed alumina and zircon coatings has been discussed based on irreversible thermodynamics. A critical under cooling parameter (β) is defined. The metastable phase formation of plasma-sprayed alumina and zircon has been discussed. The analysis shows that γ-Al 2 O 3 is first formed in the coating since it has a lower β value than α-Al 2 O 3 . Zircon dissociates into ZrO 2 and SiO 2 , and rapid quenching of plasma spraying prevents their re association. The cooling rate determines whether t-ZrO 2 or c-ZrO 2 will form in the sprayed coating. It can be confirmed by the experiments that the content of t-ZrO 2 will increase correspondingly as the sprayed particle size decreases. At high transition temperatures, c-ZrO 2 will be formed because of the anisotropic thermal expansion behaviour in the crystal structure. 22 refs., 2 tabs

  3. Alloy phase stability and design

    Stocks, G.M.; Pope, E.P.; Giamei, A.F.

    1991-01-01

    At the level of basic quantum theory the papers in this symposium reflect the great progress that has been made in understanding the physical properties of both ordered and disordered alloys based on Density Functional Theory (DFT). DFT provides a quantitative parameter-free (often referred to as first principles) theory of the ground state properties of these systems. This general approach has also been used in combination with classical elasticity and dislocation theory to provide the first quantitative understanding of some of the mechanical properties of intermetallic alloys. Recent advances have built on DFT theory to provide the first glimpses of a theory of the finite temperature phase stability of alloys. It is the strength of these first principles theories that the understanding of materials properties is in terms of the underlying electronic structure. At the level of atomistic simulation, based on semi-empirical potentials, again much progress has been made in understanding the properties of extended defects such as grain boundaries and dislocations. On the experimental front increasingly sophisticated tools are being brought to bear in order to understand both the underlying electronic structure and detailed atomic arrangements. This information, together with input from theory, is playing an increasing role in guiding alloy design efforts. At the more practical level a number of these sophisticated alloy design efforts have in recent years produced impressive results across a broad front. The properties of existing materials are continually being improved and new ones developed. Often this progress is based on a deeper understanding of the properties at the atomistic and electronic level. The design of new ordered intermetallic alloys that have reached or are reaching commercialization represents one of the major achievements of this investment of intellectual resources

  4. Ionic liquid stationary phases for gas chromatography.

    Poole, Colin F; Poole, Salwa K

    2011-04-01

    This article provides a summary of the development of ionic liquids as stationary phases for gas chromatography beginning with early work on packed columns that established details of the retention mechanism and established working methods to characterize selectivity differences compared with molecular stationary phases through the modern development of multi-centered cation and cross-linked ionic liquids for high-temperature applications in capillary gas chromatography. Since there are many reviews on ionic liquids dealing with all aspects of their chemical and physical properties, the emphasis in this article is placed on the role of gas chromatography played in the design of ionic liquids of low melting point, high thermal stability, high viscosity, and variable selectivity for separations. Ionic liquids provide unprecedented opportunities for extending the selectivity range and temperature-operating range of columns for gas chromatography, an area of separation science that has otherwise been almost stagnant for over a decade. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Stabilization of gas turbine unit power

    Dolotovskii, I.; Larin, E.

    2017-11-01

    We propose a new cycle air preparation unit which helps increasing energy power of gas turbine units (GTU) operating as a part of combined cycle gas turbine (CCGT) units of thermal power stations and energy and water supply systems of industrial enterprises as well as reducing power loss of gas turbine engines of process blowers resulting from variable ambient air temperatures. Installation of GTU power stabilizer at CCGT unit with electric and thermal power of 192 and 163 MW, respectively, has resulted in reduction of produced electrical energy production costs by 2.4% and thermal energy production costs by 1.6% while capital expenditures after installation of this equipment increased insignificantly.

  6. Phase stabilities at a glance: Stability diagrams of nickel dipnictides

    Bachhuber, F.; Rothballer, J.; Weihrich, R.; Söhnel, T.

    2013-01-01

    In the course of the recent advances in chemical structure prediction, a straightforward type of diagram to evaluate phase stabilities is presented based on an expedient example. Crystal structures and energetic stabilities of dipnictides NiPn 2 (Pn = N, P, As, Sb, Bi) are systematically investigated by first principles calculations within the framework of density functional theory using the generalized gradient approximation to treat exchange and correlation. These dipnictides show remarkable polymorphism that is not yet understood systematically and offers room for the discovery of new phases. Relationships between the concerned structures including the marcasite, the pyrite, the arsenopyrite/CoSb 2 , and the NiAs 2 types are highlighted by means of common structural fragments. Electronic stabilities of experimentally known and related AB 2 structure types are presented graphically in so-called stability diagrams. Additionally, competing binary phases are taken into consideration in the diagrams to evaluate the stabilities of the title compounds with respect to decomposition. The main purpose of the stability diagrams is the introduction of an image that enables the estimation of phase stabilities at a single glance. Beyond that, some of the energetically favored structure types can be identified as potential new phases

  7. Stabilized ultrathin liquid membranes for gas separations

    Deetz, D.W.

    1987-01-01

    Although immobilized liquid membranes have the desirable properties of high selectivity and permeability, their practical application to gas phase separations is hindered because of the instability of the liquid phase and the relative thickness of current membranes. The problem of liquid instability, which is due to both liquid volatilization and flooding, can be reduced, or eliminated, by immobilizing the liquid phase in pores small enough to significantly reduce the molar free energy of the solution via the Kelvin effect. The obstacle of membrane thickness can be overcome by selectively immobilizing the liquid phase into the skin of a porous asymmetric membranes

  8. Low Gravity Drug Stability Analyzer, Phase I

    National Aeronautics and Space Administration — The overall goal of this proposed program (through Phase III) is to build a space-worthy Drug Stability Analyzer that can determine the extent of drug degradation....

  9. Iodine removal from a gas phase

    Vikis, A. Ch.

    1982-01-01

    Iodine, e.g. radioactive iodine, present as one or more organic iodides, optionally with elemental iodine, in a gas phase (e.g. air) are removed by photochemically decomposing the organic iodides to elemental iodine, reacting the iodine produced, and any initially present with excess ozone, preferably photochemically produced in situ in the gas phase to produce solid iodine oxides, and removing the solid oxides from the gas phase. (author)

  10. Iodine removal from a gas phase

    Vikis, A.C.

    1984-01-01

    Iodine, e.g. radioactive iodine, present as one or more organic iodides, optionally with elemental iodine, in a gas phase (e.g. air) are removed by photochemically decomposing the organic iodides to elemental iodine, reacting the iodine produced, and any initially present with excess ozone, preferably photochemically produced in situ in the gas phase to produce solid iodine oxides, and removing the solid oxides from the gas phase

  11. An Introduction to the Gas Phase

    Vallance, Claire

    2017-11-01

    'An Introduction to the Gas Phase' is adapted from a set of lecture notes for a core first year lecture course in physical chemistry taught at the University of Oxford. The book is intended to give a relatively concise introduction to the gas phase at a level suitable for any undergraduate scientist. After defining the gas phase, properties of gases such as temperature, pressure, and volume are discussed. The relationships between these properties are explained at a molecular level, and simple models are introduced that allow the various gas laws to be derived from first principles. Finally, the collisional behaviour of gases is used to explain a number of gas-phase phenomena, such as effusion, diffusion, and thermal conductivity.

  12. Phase transformations, stability, and materials interactions

    Morris, J.W. Jr.; Brewer, L.; Cost, J.R.; Shewmon, P.

    1977-07-01

    The proceedings of the Materials Sciences Workshop on Phase Transformations, Stability, and Materials Interactions are divided into sections according to the following topics: (I) workshop scope and priorities; (II) study group reports--ERDA mission needs; (III) study group reports--technical area research priorities

  13. Theory and modelling of nanocarbon phase stability.

    Barnard, A. S.

    2006-01-01

    The transformation of nanodiamonds into carbon-onions (and vice versa) has been observed experimentally and has been modeled computationally at various levels of sophistication. Also, several analytical theories have been derived to describe the size, temperature and pressure dependence of this phase transition. However, in most cases a pure carbon-onion or nanodiamond is not the final product. More often than not an intermediary is formed, known as a bucky-diamond, with a diamond-like core encased in an onion-like shell. This has prompted a number of studies investigating the relative stability of nanodiamonds, bucky-diamonds, carbon-onions and fullerenes, in various size regimes. Presented here is a review outlining results of numerous theoretical studies examining the phase diagrams and phase stability of carbon nanoparticles, to clarify the complicated relationship between fullerenic and diamond structures at the nanoscale.

  14. Phase noise and frequency stability in oscillators

    Rubiola, Enrico

    2009-01-01

    Presenting a comprehensive account of oscillator phase noise and frequency stability, this practical text is both mathematically rigorous and accessible. An in-depth treatment of the noise mechanism is given, describing the oscillator as a physical system, and showing that simple general laws govern the stability of a large variety of oscillators differing in technology and frequency range. Inevitably, special attention is given to amplifiers, resonators, delay lines, feedback, and flicker (1/f) noise. The reverse engineering of oscillators based on phase-noise spectra is also covered, and end-of-chapter exercises are given. Uniquely, numerous practical examples are presented, including case studies taken from laboratory prototypes and commercial oscillators, which allow the oscillator internal design to be understood by analyzing its phase-noise spectrum. Based on tutorials given by the author at the Jet Propulsion Laboratory, international IEEE meetings, and in industry, this is a useful reference for acade...

  15. Self-Stabilizing Measurement of Phase

    Vinjanampathy, Sai

    2014-05-01

    Measuring phase accurately constitutes one of the most important task in precision measurement science. Such measurements can be deployed to measure everything from fundamental constants to measuring detuning and tunneling rates of atoms more precisely. Quantum mechanics enhances the ultimate bounds on the precision of such measurements possible, and exploit coherence and entanglement to reduce the phase uncertainty. In this work, we will describe a method to stabilize a decohering two-level atom and use the stabilizing measurements to learn the unknown phase acquired by the atom. Such measurements will employ a Bayesian learner to do active feedback control on the atom. We will discuss some ultimate bounds employed in precision metrology and an experimental proposal for the implementation of this scheme. Financial support from Ministry of Education, Singapore.

  16. Potential Impacts of two SO2 oxidation pathways on regional sulfate concentrations: acqueous-hase oxidation by NO2 and gas-phase oxidation by Stabilized Criegee Intermediates

    We examine the potential impacts of two additional sulfate production pathways using the Community Multiscale Air Quality modeling system. First we evaluate the impact of the aqueous-phase oxidation of S(IV) by nitrogen dioxide using two published rate constants, differing by 1-2...

  17. Phase transition in the hadron gas model

    Gorenstein, M.I.; Petrov, V.K.; Zinov'ev, G.M.

    1981-01-01

    A class of statistical models of hadron gas allowing an analytical solution is considered. A mechanism of a possible phase transition in such a system is found and conditions for its occurence are determined [ru

  18. On the thermodynamic stability of the generalized Chaplygin gas

    Santos, F.C.; Bedran, M.L.; Soares, V.

    2006-01-01

    The main purpose of this Letter is to discuss the temperature behavior and the thermodynamic stability of an exotic fluid known as generalized Chaplygin gas considering only general thermodynamics. This fluid is considered a perfect fluid which obeys an adiabatic equation of state like P=-A/ρ α , where P and ρ are respectively the pressure and energy density; the parameter A is a positive universal constant and α>0. It is remarked that if the energy density of the fluid is a function of volume only, the temperature of the fluid remains zero at any pressure or volume, violating the third law of thermodynamics. We have determined a scenario where its thermal equation of state depends on temperature only and the fluid presents thermodynamic stability during any expansion process. Such a scenario also reveals that the fluid cools down through the expansion without facing any critical point or phase transition

  19. Electronic structure theory of alloy phase stability

    Turchi, P.E.A.; Sluiter, M.

    1992-01-01

    We present a brief overview of the advanced methodology which has been developed and applied to the study of phase stability properties in substitutional alloys. The approach is based on the real space version of the Generalized Perturbation Method within the Korringa-Kohn-Rostoker multiple scattering formulation of the Coherent Potential Approximation. Temperature effects are taken into account with a generalized meanfield approach, namely the Cluster Variation Method, or with Monte-Carlo simulations. We show that this approach is well suited for studying ground state properties of substitutional alloys, for calculating energies of idealized interfaces and antiphase boundaries, and finally to compute alloy phase diagrams

  20. Studies of matrix diffusion in gas phase

    Hartikainen, K.; Timonen, J.; Vaeaetaeinen, K.; Pietarila, H.

    1994-03-01

    The diffusion of solutes from fractures into rock matrix is an important factor in the safety analysis of disposal of radioactive waste. Laboratory measurements are needed to complement field investigations for a reliable determination of the necessary transport parameters. Measurements of diffusion coefficients in tight rock samples are usually time consuming because the diffusion processes are slow. On the other hand it is well known that diffusion coefficients in the gas phase are roughly four orders of magnitude larger than those in the liquid phase. Therefore, for samples whose structures do not change much upon drying, it is possible to estimate the diffusion properties of the liquid phase when the properties of the gas phase are known. Advantages of the gas method are quick and easy measurements. In the measurements nitrogen was used as the carrier gas and helium as the tracer gas, and standard techniques have been used for helium detection. Techniques have been developed for both channel flow and through-diffusion measurements. The breakthrough curves have been measured in every experiment and all measurements have been modelled by using appropriate analytical models. As a result matrix porosities and effective diffusion coefficients in the gas phase have been determined. (12 refs., 21 figs., 6 tabs.)

  1. The nuclear liquid gas phase transition and phase coexistence

    Chomaz, Ph.

    2001-01-01

    In this talk we will review the different signals of liquid gas phase transition in nuclei. From the theoretical side we will first discuss the foundations of the concept of equilibrium, phase transition and critical behaviors in infinite and finite systems. From the experimental point of view we will first recall the evidences for some strong modification of the behavior of hot nuclei. Then we will review quantitative detailed analysis aiming to evidence phase transition, to define its order and phase diagram. Finally, we will present a critical discussion of the present status of phase transitions in nuclei and we will draw some lines for future development of this field. (author)

  2. The nuclear liquid gas phase transition and phase coexistence

    Chomaz, Ph

    2001-07-01

    In this talk we will review the different signals of liquid gas phase transition in nuclei. From the theoretical side we will first discuss the foundations of the concept of equilibrium, phase transition and critical behaviors in infinite and finite systems. From the experimental point of view we will first recall the evidences for some strong modification of the behavior of hot nuclei. Then we will review quantitative detailed analysis aiming to evidence phase transition, to define its order and phase diagram. Finally, we will present a critical discussion of the present status of phase transitions in nuclei and we will draw some lines for future development of this field. (author)

  3. Phase-aware echocardiogram stabilization using keyframes.

    Wu, Hui; Huynh, Toan T; Souvenir, Richard

    2017-01-01

    This paper presents an echocardiogram stabilization method designed to compensate for unwanted auxilliary motion. Echocardiograms contain both deformable cardiac motion and approximately rigid motion due to a number of factors. The goal of this work is to stabilize the video, while preserving the informative deformable cardiac motion. Our approach incorporates synchronized side information, extracted from electrocardiography (ECG), which provides a proxy for cardiac phase. To avoid the computational expense of pairwise alignment, we propose an efficient strategy for keyframe selection, formulated as a submodular optimization problem. We evaluate our approach quantitatively on synthetic data and demonstrate its benefit as a preprocessing step for two common echocardiogram applications: denoising and left ventricle segmentation. In both cases, preprocessing with our method improved the performance compared to no preprocessing or other alignment approaches. Copyright © 2016 Elsevier B.V. All rights reserved.

  4. Modelling of gas-liquid reactors - stability and dynamic behaviour of gas-liquid mass transfer accompanied by irreversible reaction

    Elk, E.P. van; Borman, P.C.; Kuipers, J.A.M.; Versteeg, G.F.

    1999-01-01

    The dynamic behaviour and stability of single-phase reacting systems has been investigated thoroughly in the past and design rules for stable operation are available from literature. The dynamic behaviour of gas-liquid processes is considerably more complex and has received relatively little

  5. On the stabilization of gas discharge by an hf-electric field

    Rakhimova, T.V.; Rakhimov, A.T.

    1975-01-01

    It is shown that when the bulk gas discharge is placed in an hf-electric field of sufficiently high frequency in the process of gas discharge burning there appears a long phase during which the gas ionization is inessential and the discharge burns in a recombining plasma. Such a stage may affect the stability of a gas discharge. It is shown also that at comparable values of intensities of the d.c. and hf electric fields there is a small parameter for the weakly-ionized plasma in which the relative portion of energy introduced into the discharge during the stage of gas ionization may be sufficiently small. (Auth.)

  6. SILP catalysis in gas-phase hydroformylation and carbonylation

    Riisager, A.; Fehrmann, R. [Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Chemistry; Haumann, M.; Wasserscheid, P. [Univ. Erlangen-Nuernberg (Germany). Lehrstuhl fuer Chemische Reaktionstechnik

    2006-07-01

    Supported ionic liquid phase (SILP) catalysts are new materials consisting of an ionic liquid-metal catalyst solution highly dispersed on a porous support. The use of a non-volatile, ionic liquid catalyst phase in SILP catalysts results in a stable heterogeneous-type material with selectivity and efficiency like homogeneous catalysts. The silica-supported SILP Rh-bisphosphine hydroformylation catalyst exhibited good activities and excellent selectivities in gas phase hydroformylation with stability exceeding 700 hours time-on-stream. Spectroscopic and kinetic data confirmed the homogeneous nature of the catalyst. In the Rh- SILP catalysed carbonylation of methanol the formation of undesired by-products could be suppressed by variation of residence time and gas pressure. (orig.)

  7. Experimental station for gas phase fluorescence spectroscopy

    Stankiewicz, M.; Garcia, E. Melero; Ruiz, J. Alvarez; Erman, P.; Hatherly, P.A.; Kivimaeki, A.; Rachlew, E.; Rius i Riu, J.

    2004-01-01

    The details of an experimental setup for gas phase atomic and molecular fluorescence measurements using synchrotron radiation are described in this article. The most significant part of the apparatus is an optical arrangement, which allows for simultaneous measurements of dispersed as well as total fluorescence intensity using an effusive gas jet and an inbuilt gas cell assembled in a convenient plug and measure configuration. The first measurements concerning fluorescence of the N 2 molecule around the N 1s edge obtained with this setup are presented

  8. Gas phase ion/molecule reactions as studied by Fourier Transform Ion Cyclotron Resonance mass spectrometry

    Joergensen, S.I.

    1985-01-01

    The subject of this thesis is gas phase ion/molecule reactions as studied by Fourier Transform Ion Cyclotron Resonance (FT-ICR) mass spectrometry (chapter 2 contains a short description of this method). Three chapters are mainly concerned with mechanistic aspects of gas phase ion/molecule reactions. An equally important aspect of the thesis is the stability and reactivity of α-thio carbanions, dipole stabilized carbanions and homoenolate anions, dealt with in the other four chapters. (Auth.)

  9. Gas flow headspace liquid phase microextraction.

    Yang, Cui; Qiu, Jinxue; Ren, Chunyan; Piao, Xiangfan; Li, Xifeng; Wu, Xue; Li, Donghao

    2009-11-06

    There is a trend towards the use of enrichment techniques such as microextraction in the analysis of trace chemicals. Based on the theory of ideal gases, theory of gas chromatography and the original headspace liquid phase microextraction (HS-LPME) technique, a simple gas flow headspace liquid phase microextraction (GF-HS-LPME) technique has been developed, where the extracting gas phase volume is increased using a gas flow. The system is an open system, where an inert gas containing the target compounds flows continuously through a special gas outlet channel (D=1.8mm), and the target compounds are trapped on a solvent microdrop (2.4 microL) hanging on the microsyringe tip, as a result, a high enrichment factor is obtained. The parameters affecting the enrichment factor, such as the gas flow rate, the position of the microdrop, the diameter of the gas outlet channel, the temperatures of the extracting solvent and of the sample, and the extraction time, were systematically optimized for four types of polycyclic aromatic hydrocarbons. The results were compared with results obtained from HS-LPME. Under the optimized conditions (where the extraction time and the volume of the extracting sample vial were fixed at 20min and 10mL, respectively), detection limits (S/N=3) were approximately a factor of 4 lower than those for the original HS-LPME technique. The method was validated by comparison of the GF-HS-LPME and HS-LPME techniques using data for PAHs from environmental sediment samples.

  10. Stability and special solutions to the conducting dusty gas model

    Calmelet, C.J.

    1987-01-01

    Models of the flow of a dusty, conducting and non-conducting gas are examined. Exact solutions for a conducting dusty gas model in the presence of a magnetic field are developed for two different flow domains. The exact solutions are calculated in the cases of negligible and non-negligible induced magnetic field. Stability theorems are developed which depend on the flow parameters of the dusty gas and the magnetic field. In particular, a universal stability theorem is obtained when the dusty gas flow is electrically conducting in the presence of an applied magnetic field, and the dust particles are non-uniformly distributed

  11. Stability and kinetic studies of supported ionic liquid phase catalysts for hydroformylation of propene

    Riisager, Anders; Fehrmann, Rasmus; Haumann, Marco

    2005-01-01

    Supported ionic liquid phase (SILP) catalysts have been studied with regard to their long-term stability in the continuous gas-phase hydroformylation of propene. Kinetic data have been acquired by variation of temperature, pressure, syngas composition, substrate concentration, and residence time...

  12. Stabilizing gas bearing in free piston machines

    Dhar, Manmohan (Inventor)

    1992-01-01

    In a free piston engine, to reduce dynamic loads on the reciprocating elements caused by a time varying pressure gradient across the gas bearing and close clearance seals provided therein, drain galleries are incorporated at the ends of the gas bearings to isolate the same, and circumferentially spaced grooves are incorporated in the close clearance seal region.

  13. On the stability of boundary layers in gas mantle systems

    Ohlsson, D.

    1978-10-01

    In this thesis a systematic investigation of the stability properties of the partially ionized boundary regions of gas mantle systems for a large class of dissipative magneto-hydrodynamic modes is presented. In the partially ionized boundary regions of gas mantle systems several strong stabilizing mechanisms arise due to coupling between various dissipative effects in certain parameter regions. The presence of neutral gas strongly enhances the stabilizing effects in a dual fashion. First in an indirect way by cooling the edge region and second in a direct way by enhancing viscous and heat conduction effects. It has, however, to be pointed out that exceptions from this general picture may be found. The stabilizing influence of neutral gas on a large class of electrostatic as well as electromagnetic modes in the boundary regions of gas blanket systems is contrary to what has been found in low density weakly ionized plasmas. In these latter cases presence of neutral gas has even been found to be responsible for the onset of entirely new classes of instabilities. Thus there is no universal stabilizing or destabilizing effect associated with plasma-neutral gas interaction effects. (author)

  14. Stabilizing Gas Bearings In Free-Piston Machines

    Dhar, Manmohan

    1995-01-01

    Gas bearings and clearance seals between pistons and cylinders in free-piston machines designed to reduce undesired dynamic forces and torques on pistons, gas bearings, and cylinders. Circumferential grooves and drain galleries added to piston or cylinder in improved design. Provides stabilization without significant reduction in length of seal, or significant increase in leakage and consequent reduction of efficiency.

  15. Comparison of electrical and optical characteristics in gas-phase and gas-liquid phase discharges

    Qazi, H. I. A.; Li, He-Ping, E-mail: liheping@tsinghua.edu.cn; Zhang, Xiao-Fei; Bao, Cheng-Yu [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Nie, Qiu-Yue [School of Electrical Engineering and Automation, Harbin Institute of Technology, Harbin, Heilongjiang Province 150001 (China)

    2015-12-15

    This paper presents an AC-excited argon discharge generated using a gas-liquid (two-phase) hybrid plasma reactor, which mainly consists of a powered needle electrode enclosed in a conical quartz tube and grounded deionized water electrode. The discharges in the gas-phase, as well as in the two-phase, exhibit two discharge modes, i.e., the low current glow-like diffuse mode and the high current streamer-like constrict mode, with a mode transition, which exhibits a negative resistance of the discharges. The optical emission spectral analysis shows that the stronger diffusion of the water vapor into the discharge region in the two-phase discharges boosts up the generation of OH (A–X) radicals, and consequently, leads to a higher rotational temperature in the water-phase plasma plume than that of the gas-phase discharges. Both the increase of the power input and the decrease of the argon flow rate result in the increase of the rotational temperature in the plasma plume of the water-phase discharge. The stable two-phase discharges with a long plasma plume in the water-phase under a low power input and gas flow rate may show a promising prospect for the degradation of organic pollutants, e.g., printing and dyeing wastewater, in the field of environmental protection.

  16. Non Lyapunov stability of a constant spatially developing 2-D gas flow

    Balint, Agneta M.; Balint, Stefan; Tanasie, Loredana

    2017-01-01

    Different types of stabilities (global, local) and instabilities (global absolute, local convective) of the constant spatially developing 2-D gas flow are analyzed in a particular phase space of continuously differentiable functions, endowed with the usual algebraic operations and the topology generated by the uniform convergence on the plane. For this purpose the Euler equations linearized at the constant flow are used. The Lyapunov stability analysis was presented in [1] and this paper is a continuation of [1].

  17. Method for removal and stabilization of mercury in mercury-containing gas streams

    Broderick, Thomas E.

    2005-09-13

    The present invention is directed to a process and apparatus for removing and stabilizing mercury from mercury-containing gas streams. A gas stream containing vapor phase elemental and/or speciated mercury is contacted with reagent, such as an oxygen-containing oxidant, in a liquid environment to form a mercury-containing precipitate. The mercury-containing precipitate is kept or placed in solution and reacts with one or more additional reagents to form a solid, stable mercury-containing compound.

  18. Gas-Phase Reactivity of Microsolvated Anions

    Thomsen, Ditte Linde

    the gas-phase α-effect. The experimental studies are performed by means of the flowing after glow selected ion flow tube technique, and these are supplemented by electronic structure calculations. The α-nucleophile employed is the microsolvated hydrogen peroxide anion whose reactivity is compared......Gas-phase studies of ion-molecule reactions shed light on the intrinsic factors that govern reactivity; and even solvent effects can be examined in the gasphase environment by employing microsolvated ions. An area that has received considerable attention with regard to the interplay between...... to that of a series of microsolvated oxygen centered anions. The association of the nucleophiles with a single water or methanol molecule allows the α-effect to be observed in the SN2 reaction with methyl chloride; this effect was not apparent in the reactions of the unsolvated anions. The results suggest...

  19. System identification on two-phase flow stability

    Wu Shaorong; Zhang Youjie; Wang Dazhong; Bo Jinghai; Wang Fei

    1996-01-01

    The theoretical principle, experimental method and results of interrelation analysis identification for the instability of two-phase flow are described. A completely new concept of test technology and method on two-phase flow stability was developed by using he theory of information science on system stability and system identification for two-phase flow stability in thermo-physics field. Application of this method would make it possible to identify instability boundary of two-phase flow under stable operation conditions of two-phase flow system. The experiment was carried out on the thermohydraulic test system HRTL-5. Using reverse repeated pseudo-random sequences of heating power as input signal sources and flow rate as response function in the test, the two-phase flow stability and stability margin of the natural circulation system are investigated. The effectiveness and feasibility of identifying two-phase flow stability by using this system identification method were experimentally demonstrated. Basic data required for mathematics modeling of two-phase flow and analysis of two-phase flow stability were obtained, which are useful for analyzing, monitoring of the system operation condition, and forecasting of two-phase flow stability in engineering system

  20. Scramjet Combustion Stability Behavior Modeling, Phase II

    National Aeronautics and Space Administration — A recent breakthrough in combustion stability analysis (UCDS) offers the potential to predict the combustion stability of a scramjet. This capability is very...

  1. Scramjet Combustion Stability Behavior Modeling, Phase I

    National Aeronautics and Space Administration — A recent breakthrough in combustion stability analysis (UCDS) offers the means to accurately predict the combustion stability of a scramjet. This capability is very...

  2. Tethered Nanoparticle–Polymer Composites: Phase Stability and Curvature

    Srivastava, Samanvaya; Agarwal, Praveen; Archer, Lynden A.

    2012-01-01

    different small-angle X-ray scattering signatures in comparison to phase-separated composites comprised of bare or sparsely grafted nanoparticles. A general diagram for the dispersion state and phase stability of polymer tethered nanoparticle-polymer

  3. The stability of a constricted gas discharge

    Tayler, R J [U.K. Atomic Energy Authority, AERE, Harwell (United Kingdom)

    1958-07-01

    This paper is to be regarded as a progress report on an unfinished problem and an indication is given of aspects of the problem which, it is hoped, will be studied soon. Two theoretical models are considered here. The first approach is extremely naive: plasma dynamics is completely neglected and only the forces exerted by the electromagnetic field are considered. The second approach is to use Maxwell's equations combined with a simple one-fluid hydrodynamics - classical hydromagnetics. The paper is arranged as follows: the magnetostatic or extensible wire model of the discharge is studied; based on the hydromagnetic equations: 1) the gradual loss of stability of the stabilised pinch, due to field diffusion, is discussed and 2) another type of stable discharge configuration is introduced. In the final section there is a discussion of further problems which must be studied.

  4. Gas phase reactive collisions, experimental approach

    Canosa A.

    2012-01-01

    Full Text Available Since 1937 when the first molecule in space has been identified, more than 150 molecules have been detected. Understanding the fate of these molecules requires having a perfect view of their photochemistry and reactivity with other partners. It is then crucial to identify the main processes that will produce and destroy them. In this chapter, a general view of experimental techniques able to deliver gas phase chemical kinetics data at low and very low temperatures will be presented. These techniques apply to the study of reactions between neutral reactants on the one hand and reactions involving charge species on the other hand.

  5. Reducing greenhouse gas emissions for climate stabilization: framing regional options.

    Olabisi, Laura Schmitt; Reich, Peter B; Johnson, Kris A; Kapuscinski, Anne R; Su, Sangwon H; Wilson, Elizabeth J

    2009-03-15

    The Intergovernmental Panel on Climate Change (IPCC) has stated that stabilizing atmospheric CO2 concentrations will require reduction of global greenhouse gas (GHG) emissions by as much as 80% by 2050. Subnational efforts to cut emissions will inform policy development nationally and globally. We projected GHG mitigation strategies for Minnesota, which has adopted a strategic goal of 80% emissions reduction by 2050. A portfolio of conservation strategies, including electricity conservation, increased vehicle fleet fuel efficiency, and reduced vehicle miles traveled, is likely the most cost-effective option for Minnesota and could reduce emissions by 18% below 2005 levels. An 80% GHG reduction would require complete decarbonization of the electricity and transportation sectors, combined with carbon capture and sequestration at power plants, or deep cuts in other relatively more intransigent GHG-emitting sectors. In order to achieve ambitious GHG reduction goals, policymakers should promote aggressive conservation efforts, which would probably have negative net costs, while phasing in alternative fuels to replace coal and motor gasoline over the long-term.

  6. Reducing greenhouse gas emissions for climate stabilization: framing regional options

    Laura Schmitt Olabisi; Peter B. Reich; Kris A. Johnson; Anne R. Kapuscinski; Sangwon Suh; Elizabeth J. Wilson [University of Minnesota, Saint Paul, MN (United States). Ecosystem Science and Sustainability Initiative

    2009-03-15

    The Intergovernmental Panel on Climate Change (IPCC) has stated that stabilizing atmospheric CO{sub 2} concentrations will require reduction of global greenhouse gas (GHG) emissions by as much as 80% by 2050. Subnational efforts to cut emissions will inform policy development nationally and globally. We projected GHG mitigation strategies for Minnesota, which has adopted a strategic goal of 80% emissions reduction by 2050. A portfolio of conservation strategies, including electricity conservation, increased vehicle fleet fuel efficiency, and reduced vehicle miles traveled, is likely the most cost-effective option for Minnesota and could reduce emissions by 18% below 2005 levels. An 80% GHG reduction would require complete decarbonization of the electricity and transportation sectors, combined with carbon capture and sequestration at power plants, or deep cuts in other relatively more intransigent GHG-emitting sectors. In order to achieve ambitious GHG reduction goals, policymakers should promote aggressive conservation efforts, which would probably have negative net costs, while phasing in alternative fuels to replace coal and motor gasoline over the long-term. 31 refs., 3 figs., 1 tab.

  7. Phase transitions in a vortex gas

    Shah, P.A.

    1995-01-01

    It has been shown recently that the motion of solitons at couplings around a critical coupling can be reduced to the dynamics of particles (the zeros of the Higgs field) on a curved manifold with potential. The curvature gives a velocity-dependent force, and the magnitude of the potential is proportional to the distance from a critical coupling. In this paper we apply this approximation to determining the equation of state of a gas of vortices in the abelian Higgs model. We derive a virial expansion using certain known integrals of the metric, and the second virial coefficient is calculated, determining the behaviour of the gas at low densities. A formula for determining higher-order coefficients is given. At low densities and temperatures T >>λ the equation of state is of the Van der Waals form (P+b N 2 /A 2 )(A-aN) = NT with a=4π and b=-4.89πλ where λ is a measure of the distance from critical coupling. It is found that there is no phase transition in a low-density type-II gas, but there is a transition in the type-I case between a condensed and gaseous state. We conclude with a discussion of the relation of our results to vortex behaviour in superconductors. ((orig.))

  8. Catalytic combustion in gas stoves - Phase II

    Hjelm, Anna-Karin [CATATOR AB, Lund (Sweden)

    2003-06-01

    . To overcome the latter, improved aeration of the system is needed, e.g. modification of nozzle-size and/or flame port plate. The effects of installing a retro-fit catalytic design onto the burner in the gas oven were also examined. Similar to the burners of the cooking plates, the emitted NO{sub x} was greatly reduced, i.e. up to 90 %. Other on-going projects using similar catalyst concepts as in this study have shown that the life-time of the catalyst, i.e. the mechanical stability and the catalytic activity, is extremely good (> 1000 h). To examine if this durability of the catalyst is limited in this specific application by deactivation caused by possible food spillage, a number of commonly used food ingredients were painted onto the catalysts and the activity of the catalyst prior to and after the 'deactivation' was investigated. The results show that no ingredients of organic type (fat, milk, egg, sugar) have any significant impact on the catalytic activity. Salt however was seen to block active reaction sites of the catalyst, but the tests showed that the catalyst could in this case be easily re-activated by simply washing it in water. The design modifications are very modest and the amount of catalyst is small, costing about 6-10 SEK (0.80-1.2 USD) per cooking plate.

  9. Lunar Regolith Stabilization for Excavation, Phase I

    National Aeronautics and Space Administration — Establishing human presence outside the protective cover of earth's atmosphere is a challenge. On earth, the atmosphere does not only present breathing gas, it also...

  10. Stability and suppression of turbulence in relaxing molecular gas flows

    Grigoryev, Yurii N

    2017-01-01

    This book presents an in-depth systematic investigation of a dissipative effect which manifests itself as the growth of hydrodynamic stability and suppression of turbulence in relaxing molecular gas flows. The work describes the theoretical foundations of a new way to control stability and laminar turbulent transitions in aerodynamic flows. It develops hydrodynamic models for describing thermal nonequilibrium gas flows which allow the consideration of suppression of inviscid acoustic waves in 2D shear flows. Then, nonlinear evolution of large-scale vortices and Kelvin-Helmholtz waves in relaxing shear flows are studied. Critical Reynolds numbers in supersonic Couette flows are calculated analytically and numerically within the framework of both linear and nonlinear classical energy hydrodynamic stability theories. The calculations clearly show that the relaxation process can appreciably delay the laminar-turbulent transition. The aim of the book is to show the new dissipative effect, which can be used for flo...

  11. Computational phase diagrams of noble gas hydrates under pressure

    Teeratchanan, Pattanasak, E-mail: s1270872@sms.ed.ac.uk; Hermann, Andreas, E-mail: a.hermann@ed.ac.uk [Centre for Science at Extreme Conditions and SUPA, School of Physics and Astronomy, The University of Edinburgh, Edinburgh EH9 3FD (United Kingdom)

    2015-10-21

    We present results from a first-principles study on the stability of noble gas-water compounds in the pressure range 0-100 kbar. Filled-ice structures based on the host water networks ice-I{sub h}, ice-I{sub c}, ice-II, and C{sub 0} interacting with guest species He, Ne, and Ar are investigated, using density functional theory (DFT) with four different exchange-correlation functionals that include dispersion effects to various degrees: the non-local density-based optPBE-van der Waals (vdW) and rPW86-vdW2 functionals, the semi-empirical D2 atom pair correction, and the semi-local PBE functional. In the He-water system, the sequence of stable phases closely matches that seen in the hydrogen hydrates, a guest species of comparable size. In the Ne-water system, we predict a novel hydrate structure based on the C{sub 0} water network to be stable or at least competitive at relatively low pressure. In the Ar-water system, as expected, no filled-ice phases are stable; however, a partially occupied Ar-C{sub 0} hydrate structure is metastable with respect to the constituents. The ability of the different DFT functionals to describe the weak host-guest interactions is analysed and compared to coupled cluster results on gas phase systems.

  12. Phase transitions in a gas of anyons

    MacKenzie, R.; Nebia-Rahal, F.; Paranjape, M. B.; Richer, J.

    2010-01-01

    We continue our numerical Monte Carlo simulation of a gas of closed loops on a 3 dimensional lattice, however, now in the presence of a topological term added to the action which corresponds to the total linking number between the loops. We compute the linking number using a novel approach employing certain notions from knot theory. Adding the topological term converts the particles into anyons. Interpreting the model as an effective theory that describes the 2+1-dimensional Abelian Higgs model in the asymptotic strong-coupling regime, the topological linking number simply corresponds to the addition to the action of the Chern-Simons term. The system continues to exhibit a phase transition as a function of the vortex mass as it becomes small. We find the following new results. The Chern-Simons term has no effect on the Wilson loop. On the other hand, it does effect the 't Hooft loop of a given configuration, adding the linking number of the 't Hooft loop with all of the dynamical vortex loops. We find the unexpected result that both the Wilson loop and the 't Hooft loop exhibit a perimeter law even though there are no massless particles in the theory, in both phases of the theory. It should be noted that our method suffers from numerical instabilities if the coefficient of the Chern-Simons term is too large; thus, we have restricted our results to small values of this parameter. Furthermore, interpreting the lattice loop gas as an effective theory describing the Abelian Higgs model is only known to be true in the infinite coupling limit; for strong but finite coupling this correspondence is only a conjecture, the validity of which is beyond the scope of this article.

  13. Transferring pharmaceuticals into the gas phase

    Christen, Wolfgang; Krause, Tim; Rademann, Klaus

    2008-11-01

    The dissolution of molecules of biological interest in supercritical carbon dioxide is investigated using pulsed molecular beam mass spectrometry. Due to the mild processing temperatures of most supercritical fluids, their adiabatic expansion into vacuum permits to transfer even thermally very sensitive substances into the gas phase, which is particularly attractive for pharmaceutical and biomedical applications. In addition, supercritical CO2constitutes a chemically inert solvent that is compatible with hydrocarbon-free ultrahigh vacuum conditions. Here, we report on the dissolution and pulsed supersonic jet expansion of caffeine (C8H10N4O2), the provitamin menadione (C11H8O2), and the amino acid derivative l-phenylalanine tert-butyl ester hydrochloride (C6H5CH2CH(NH2)COOC(CH3)3[dot operator]HCl), into vacuum. An on-axis residual gas analyzer is used to monitor the relative amounts of solute and solvent in the molecular beam as a function of solvent densityE The excellent selectivity and sensitivity provided by mass spectrometry permits to probe even trace amounts of solutes. The strong density variation of CO2 close to the critical point results in a pronounced pressure dependence of the relative ion currents of solute and solvent molecules, reflecting a substantial change in solubility.

  14. A model for phase stability under irradiation

    Abromeit, C.

    The combination of two theoretical models leads to modified criteria of stability of precipitates under heavy particle irradiation. The size of existing or under irradiation newly formed precipitates is limited by a stable radius. Precipitate surface energy effects are included in a consistent manner

  15. Frequency stabilization of a He-Ne gas laser by controlling refractive index of laser plasma

    Xie Yi; Wu Yizun

    1991-01-01

    A new way to stabilize the frequency of a Zeeman He-Ne gas laser is described. The laser frequency is stabilized by controlling the refractive index of the laser plasma. It does not need a gas laser tube with a piezoelectric ceramic (PZT) made by special technology. As the phase-locking technology is used in the laser servo system, the self-beat frequency is a constant and the frequency stability is better than 2.2 x 10 -11 (averaging time = 10 sec.). The long term frequency fluctuation never exceeded 2 x 10 -8 during two months. The frequency of the locked point can be adjusted continuously in the range of over 200 MHz

  16. HRTEM investigation of phase stability in alumina–zirconia ...

    tries, at high temperatures, the small diffusion lengths involved can influence the phase stability. The present work ... a function of nanocrystalline size has been shown by Shukla ... and zirconia on a Si(100) single crystal substrate with differ-.

  17. Resolving Gas-Phase Metallicity In Galaxies

    Carton, David

    2017-06-01

    Chapter 2: As part of the Bluedisk survey we analyse the radial gas-phase metallicity profiles of 50 late-type galaxies. We compare the metallicity profiles of a sample of HI-rich galaxies against a control sample of HI-'normal' galaxies. We find the metallicity gradient of a galaxy to be strongly correlated with its HI mass fraction {M}{HI}) / {M}_{\\ast}). We note that some galaxies exhibit a steeper metallicity profile in the outer disc than in the inner disc. These galaxies are found in both the HI-rich and control samples. This contradicts a previous indication that these outer drops are exclusive to HI-rich galaxies. These effects are not driven by bars, although we do find some indication that barred galaxies have flatter metallicity profiles. By applying a simple analytical model we are able to account for the variety of metallicity profiles that the two samples present. The success of this model implies that the metallicity in these isolated galaxies may be in a local equilibrium, regulated by star formation. This insight could provide an explanation of the observed local mass-metallicity relation. Chapter 3 We present a method to recover the gas-phase metallicity gradients from integral field spectroscopic (IFS) observations of barely resolved galaxies. We take a forward modelling approach and compare our models to the observed spatial distribution of emission line fluxes, accounting for the degrading effects of seeing and spatial binning. The method is flexible and is not limited to particular emission lines or instruments. We test the model through comparison to synthetic observations and use downgraded observations of nearby galaxies to validate this work. As a proof of concept we also apply the model to real IFS observations of high-redshift galaxies. From our testing we show that the inferred metallicity gradients and central metallicities are fairly insensitive to the assumptions made in the model and that they are reliably recovered for galaxies

  18. Gas gain stability of MSGCs on borosilicate glass

    Berg, F.D. van den; Daum, C.; Eijk, B. van; Hartjes, F.G.; Udo, F.; Zhukov, V.

    1996-01-01

    The gas gain stability in Micro Strip Gas Counters fabricated on borosilicate glass has been investigated for operation at high radiation fluxes up to 10 5 Hz/mm 2 in a X-ray set-up. We discuss effects of short and long term irradiation on the gain for different voltage settings and strip metalisations. The application of a high drift field and a back plane on positive potential provides good high rate operation up to 10 4 Hz/mm 2 . Ageing is observed to be strongly dependent on the stirp metalisation; gold and nickel perform better than aluminium and copper. (orig.)

  19. Closed-cage tungsten oxide clusters in the gas phase.

    Singh, D M David Jeba; Pradeep, T; Thirumoorthy, Krishnan; Balasubramanian, Krishnan

    2010-05-06

    During the course of a study on the clustering of W-Se and W-S mixtures in the gas phase using laser desorption ionization (LDI) mass spectrometry, we observed several anionic W-O clusters. Three distinct species, W(6)O(19)(-), W(13)O(29)(-), and W(14)O(32)(-), stand out as intense peaks in the regular mass spectral pattern of tungsten oxide clusters suggesting unusual stabilities for them. Moreover, these clusters do not fragment in the postsource decay analysis. While trying to understand the precursor material, which produced these clusters, we found the presence of nanoscale forms of tungsten oxide. The structure and thermodynamic parameters of tungsten clusters have been explored using relativistic quantum chemical methods. Our computed results of atomization energy are consistent with the observed LDI mass spectra. The computational results suggest that the clusters observed have closed-cage structure. These distinct W(13) and W(14) clusters were observed for the first time in the gas phase.

  20. Electron concentration and phase stability in NbCr2-based Laves phase alloys

    Zhu, J.H.; Liaw, P.K. [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Liu, C.T. [Oak Ridge National Lab., TN (United States). Metals and Ceramics Div.

    1997-05-12

    Phase stability in NbCr{sub 2}-based transition-metal Laves phases was studied, based on the data reported for binary X-Cr, Nb-X, and ternary Nb-Cr-X phase diagrams. It was shown that when the atomic size ratios are kept identical, the average electron concentration factor, e/a, is the dominating factor in controlling the phase stability of NbCr{sub 2}-based transition-metal Laves phases. The e/a ratios for different Laves polytypes were determined as followed: with e/a < 5.76, the C15 structure is stabilized; at an e/a range of 5.88--7.53, the C14 structure is stabilized; with e/a > 7.65, the C15 structure is stabilized again. A further increase in the electron concentration factor (e/a > 8) leads to the disordering of the alloy. The electron concentration effect on the phase stability of Mg-based Laves phases and transition-metal A{sub 3}B intermetallic compounds is also reviewed and compared with the present observations in transition-metal Laves phases. In order to verify the e/a/phase stability relationship experimentally, additions of Cu (with e/a = 11) were selected to replace Cr in the NbCr{sub 2} Laves phase. Experimental results for the ternary Nb-Cr-Cu system are reported and discussed in terms of the correlation between the e/a ratio and phase stability in NbCr{sub 2}-based Laves phases. A new phase was found, which has an average composition of Nb-47Cr-3Cu. Within the solubility limit, the electron concentration and phase stability relationship is obeyed in the Nb-Cr-Cu system.

  1. Conformational Study of Taurine in the Gas Phase

    Cortijo, Vanessa; Sanz, M. Eugenia; López, Juan C.; Alonso, José L.

    2009-08-01

    The conformational preferences of the amino sulfonic acid taurine (NH2-CH2-CH2-SO3H) have been investigated in the gas phase by laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW) in the 6-14 GHz frequency range. One conformer has been observed, and its rotational, centrifugal distortion, and hyperfine quadrupole coupling constants have been determined from the analysis of its rotational spectrum. Comparison of the experimental constants with those calculated theoretically identifies the detected conformer unambiguously. The observed conformer of taurine is stabilized by an intramolecular hydrogen bond O-H···N between the hydrogen of the sulfonic acid group and the nitrogen atom of the amino group.

  2. Stability investigations of relaxing molecular gas flows. Results and perspectives

    Grigor'ev, Yurii N.; Ershov, Igor V.

    2017-10-01

    This article presents results of systematic investigations of a dissipative effect which manifests itself as the growth of hydrodynamic stability and suppression of turbulence in relaxing molecular gas flows. The effect can be a new way for control stability and laminar turbulent transition in aerodynamic flows. The consideration of suppression of inviscid acoustic waves in 2D shear flows is presented. Nonlinear evolution of large-scale vortices and Kelvin — Helmholtz waves in relaxing shear flows are studied. Critical Reynolds numbers in supersonic Couette flows are calculated analytically and numerically within the framework of both classical linear and nonlinear energy hydrodynamic stability theories. The calculations clearly show that the relaxation process can appreciably delay the laminar-turbulent transition. The aim of this article is to show the new dissipative effect, which can be used for flow control and laminarization.

  3. Effect of gas hydrates melting on seafloor slope stability

    Sultan, N.; Cochonat, P.; Foucher, J. P.; Mienert, J.; Haflidason, H.; Sejrup, H. P.

    2003-04-01

    Henriet, J.-P.; Mienert, J. (Ed.): Gas hydrates: relevance to world margin stability and climate change. Geological Society Special Publication, 137. The Geological Society: London, UK, p. 267-274. Handa,Y.P., 1989. Effect of Hydrostatic Pressure and Salinity on the Stability of Gas Hydrates. J.Phys.Chem., Vol.94, p.2652-2657. Henry, P., Thomas, M.; Clennell, M.B., 1999. Formation of Natural Gas Hydrates in Marine Sediments 2. Thermodynamic Calculations of Stability Conditions in Porous Sediments,” J. Geophys. Res., 104, p. 23005. Sloan, E.D. Jr., 1998. Clathrate hydrates of natural gases. Marcel Dekker Inc., 2nd edition, New York, pp. 705. Soave G, 1972. Equilibrium

  4. Thin film structures and phase stability

    Clemens, B.M.; Johnson, W.L.

    1990-01-01

    This was a two day symposium, with invited and contributed papers as well as an evening poster session. The first day concentrated on solid state reactions with invited talks by Lindsay Greer from the University of Cambridge, King Tu from IBM Yorktown Heights, and Carl Thompson from MIT. Professor Greer observed that the diffusion of Zr is 10 6 times slower than that of Ni in amorphous NiZr, confirming that Ni is the mobile species in solid state amorphization. King Tu explained the formation of metastable phases in this film diffusion couples by the concept of maximum rate of free energy change. Carl Thompson discussed the formation of amorphous phases in metal silicon systems, and discussed a two stage nucleation and growth process. The contributed papers also generated discussion on topics such as phase segregation, amorphous silicide formation, room temperature oxidation of silicon, and nucleation during ion beam irradiation. There was a lively poster session on Monday evening with papers on a wide variety of topics covering the general area of thin film science. The second day had sessions Epitaxy and Multilayer Structure I and II, with the morning focussing on epitaxial and heteroepitaxial growth of thin films. Robin Farrow of IBM Almaden led off with an invited talk where he reported on some remarkable success he and his co-workers have had in growing single crystal epitaxial thin films and superlattices of silver, iron, cobalt and platinum on GaAs. This was followed by several talks on epitaxial growth and characterization. The afternoon focused on interfaces and structure of multilayered materials. A session on possible stress origins of the supermodulus effect was highlighted by lively interaction from the audience. Most of the papers presented at the symposium are presented in this book

  5. Comparison of catalytic ethylene polymerization in slurry and gas phase

    Daftaribesheli, Majid

    2009-01-01

    Polyethylene (PE) with the annual consumption of 70 million tones in 2007 is mostly produced in slurry, gas-phase or combination of both processes. This work focuses on a comparison between the slurry and gas phase processes. Why does PE produced in theses two processes can show extremely different

  6. Modeling the Phase Composition of Gas Condensate in Pipelines

    Dudin, S. M.; Zemenkov, Yu D.; Shabarov, A. B.

    2016-10-01

    Gas condensate fields demonstrate a number of thermodynamic characteristics to be considered when they are developed, as well as when gas condensate is transported and processed. A complicated phase behavior of the gas condensate system, as well as the dependence of the extracted raw materials on the phase state of the deposit other conditions being equal, is a key aspect. Therefore, when designing gas condensate lines the crucial task is to select the most appropriate methods of calculating thermophysical properties and phase equilibrium of the transported gas condensate. The paper describes a physical-mathematical model of a gas-liquid flow in the gas condensate line. It was developed based on balance equations of conservation of mass, impulse and energy of the transported medium within the framework of a quasi-1D approach. Constitutive relationships are given separately, and practical recommendations on how to apply the research results are provided as well.

  7. Investigation of phase stability in the scandia-zirconia

    Grosso, Robson Lopes

    2016-01-01

    In this work, the phase stability of scandia-zirconia (ScSZ) system was investigated by the thermodynamic study of nanoparticles, within the range of 0 to 20 mol% Sc 2 O 3 , and by codoping of ZrO 2 -10 mol% Sc 2 O 3 (10ScSZ) with Dy 2 O 3 and Nb 2 O 5 . The phase stability of ScSZ was evaluated based on thermodynamic data collected by water adsorption microcalorimetry and high temperature oxide melt solution. Nanostructured zirconia-scandia solid solutions were synthesized by coprecipitation method. Thermodynamic data were determined for ScSZ polymorph (monoclinic, tetragonal, cubic, rhombohedral β and γ) found by X-ray diffraction. This systemic work resulted in an unprecedented phase diagram at the nanoscale of particle size-composition. The effects of additives on 10ScSZ were investigated aiming to stabilize the cubic (c) structure at room temperature and to suppress the characteristic cubic-rhombohedral β phase transformation. Compositions were prepared by coprecipitation and solid state reaction. Materials were sintered by conventional and spark plasma sintering. Full stabilization of the cubic phase was attained by 1 mol% Dy 2 O 3 and 0.5 mol% Nb 2 O 5 additions. The smallest Nb 2 O 5 content required for cubic phase stabilization was attributed to liquid phase formation during sintering and to small ionic radius of Nb 5+ . Results of high temperature X-ray diffraction and thermal analysis show suppression of the c-β transformation. Samples containing 0.5 mol% Nb 2 O 5 show total ionic conductivity similar to 10ScSZ without additives within a broad temperature range with high stability during 170 h at 600 °C. (author)

  8. Beam tuning and stabilization using beam phase measurements at GANIL

    Chabert, A.; Loyer, F.; Sauret, J.

    1984-06-01

    Owing to the great sensitivity of the beam phase to the various parameters, on line beam phase measurements proved to be a very efficient way of tuning and stabilizing the beam of the multi-accelerator complex. We recall the system which allows to obtain the different kinds of accurate measurements we need and describe the main applications: - tuning process (buncher and SSC's RF phase determination, setting of the required radial beam phase law in the SSC's); - stabilization of the beam by loops, the basic principle of which being to keep constant the beam central phase all along the machine by adjusting RF voltages or magnetic fields. Feedback loops are described and comparative results with and without feedback are given

  9. Thermodynamic and experimental study on phase stability in nanocrystalline alloys

    Xu Wenwu; Song Xiaoyan; Lu Nianduan; Huang Chuan

    2010-01-01

    Nanocrystalline alloys exhibit apparently different phase transformation characteristics in comparison to the conventional polycrystalline alloys. The special phase stability and phase transformation behavior, as well as the essential mechanisms of the nanocrystalline alloys, were described quantitatively in a nanothermodynamic point of view. By introducing the relationship between the excess volume at the grain boundary and the nanograin size, the Gibbs free energy was determined distinctly as a function of temperature and the nanograin size. Accordingly, the grain-size-dependence of the phase stability and phase transformation characteristics of the nanocrystalline alloy were calculated systematically, and the correlations between the phase constitution, the phase transformation temperature and the critical nanograin size were predicted. A series of experiments was performed to investigate the phase transformations at room temperature and high temperatures using the nanocrystalline Sm 2 Co 17 alloy as an example. The phase constitution and phase transformation sequence found in nanocrystalline Sm 2 Co 17 alloys with various grain-size levels agree well with the calculations by the nanothermodynamic model.

  10. Phase stability of transition metals and alloys

    Hixson, R.S.; Schiferl, D.; Wills, J.M.; Hill, M.A.

    1997-01-01

    This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project was focused on resolving unexplained differences in calculated and measured phase transition pressures in transition metals. Part of the approach was to do new, higher accuracy calculations of transmission pressures for group 4B and group 6B metals. Theory indicates that the transition pressures for these baseline metals should change if alloyed with a d-electron donor metal, and calculations done using the Local Density Approximation (LDA) and the Virtual Crystal Approximation (VCA) indicate that this is true. Alloy systems were calculated for Ti, Zr and Hf based alloys with various solute concentrations. The second part of the program was to do new Diamond Anvil Cell (DAC) measurements to experimentally verify calculational results. Alloys were prepared for these systems with grain size suitable for Diamond Anvil Cell experiments. Experiments were done on pure Ti as well as Ti-V and Ti-Ta alloys. Measuring unambiguous transition pressures for these systems proved difficult, but a new technique developed yielded good results

  11. Effective interactions approach to phase stability in alloys under irradiation

    Enrique, R.A.; Bellon, P.

    1999-01-01

    Phase stability in alloys under irradiation is studied considering effective thermodynamic potentials. A simple kinetic model of a binary alloy with phase separation is investigated. Time evolution in the alloy results from two competing dynamics: thermal diffusion, and irradiation induced ballistic exchanges The dynamical (steady state) phase diagram is evaluated exactly performing Kinetic Monte Carlo simulations. The solution is then compared to two theoretical frameworks: the effective quasi-interactions model as proposed by Vaks and Kamishenko, and the effective free energy model as proposed by Martin. New developments of these models are proposed to allow for quantitative comparisons. Both theoretical frameworks yield fairly good approximations to the dynamical phase diagram

  12. Effective interactions approach to phase stability in alloys under irradiation

    Enrique, R.A.; Bellon, P.

    1999-01-01

    Phase stability in alloys under irradiation is studied considering effective thermodynamic potentials. A simple kinetic model of a binary alloy with phase separation is investigated. Time evolution in the alloy results form two competing dynamics: thermal diffusion, and irradiation induced ballistic exchanges. The dynamical (steady state) phase diagram is evaluated exactly performing Kinetic Monte Carlo simulations. The solution is then compared to two theoretical frameworks: the effective quasi-interactions model as proposed by Vaks and Kamishenko, and the effective free energy model as proposed by Martin. New developments of these models are proposed to allow for quantitative comparisons. Both theoretical frameworks yield fairly good approximations to the dynamical phase diagram

  13. Stability of carbon-bearing phases in coal on the passage of weak electric current

    Pivnyak, G.G.; Sobolev, V.V.; Baskevich, A.S.

    2012-01-01

    According to data of the electron paramagnetic resonance, infrared spectroscopy, X-ray analysis, and other methods, mobile radicals and gas have formed in coal on the passage of weak electric current. The quantum-mechanical estimation of the stability of coal organic mass components under the action of weak electric current is offered. It is established that the hydrocarbon and carbon chains are the most probable phase which is destroyed the first.

  14. An active interferometer-stabilization scheme with linear phase control

    Andresen, Esben Ravn; Krishnamachari, v v; Potma, E O

    2006-01-01

    We report a simple and robust computer-based active interferometer stabilization scheme which does not require modulation of the interfering beams and relies on an error signal which is linearly related to the optical path difference. In this setup, a non-collinearly propagating reference laser...... beam stabilizes the interference output of the laser light propagating collinearly through the interferometer. This stabilization scheme enables adjustable phase control with 20 ms switching times in the range from 0.02π radians to 6π radians at 632.8 nm....

  15. Phase stability of random brasses: pseudopotential theory revisited

    Rahman, S.M.M.

    1987-06-01

    We review the theoretical development concerning the phase stability of random brasses. The introductory discussion of the subject embraces the rules of metallurgy in general, but we emphasize on the roles of electron-per-atom ratio in the major bulk of our discussion. Starting from the so-called rigid-band model the discussion goes up to the recent higher-order pseudopotential theory. The theoretical refinements within the pseudopotential framework are discussed briefly. The stability criteria of the random phases are analysed both in the static lattice and dynamic lattice approximations. (author). 71 refs, figs and tabs

  16. Dynamical stability of the alpha and theta phases of alumina

    Lodziana, Zbigniew; Parlinski, K.

    2003-01-01

    Using density functional calculations the phonon dispersion relations, phonon density of states, and free energy of theta and alpha phases of alumina are investigated. The temperature dependence of the free energy indicates that entropy contributes to the destabilization of the alpha phase...... cations in alumina, and suggest that some other than entropic mechanism exists, which stabilizes transition aluminas up to 1400 K. The present calculations go beyond the ground state energy calculations [C. Wolverton and K.C. Hass, Phys. Rev. B 63, 24102 (2001)], and give an additional understanding...... of the stability of transition alumina at finite temperatures....

  17. Phase compensated gas turbine governor for damping oscillatory modes

    Yee, S.K. [Siemens Transmission and Distribution Limited, Manchester (United Kingdom); Milanovic, J.V. [School of Electrical and Electronic Engineering, University of Manchester, PO Box 88, Manchester M60 1 QD (United Kingdom); Hughes, F.M. [Manchester (United Kingdom)

    2009-08-15

    With market deregulation, there is constant pressure to utilise existing assets in more effective ways in order to achieve high levels of performance and as governor technologies mature the ability of governors to achieve much more than the standard power-frequency regulation function increases. Thus, this paper has focused on a more active use of governor control for a gas turbine to provide improved system stabilisation and performance via the inclusion of phase compensation in the governor control loop. Due to the decoupled nature of the mechanical power and excitation control loops, performance improvement via governor control does not interfere with generator voltage regulation, which is a drawback of conventional generator damping provision via a power system stabiliser (PSS). In addition, the mechanical power control loop is also less affected by the operating condition of the power system and is hence more robust. It is shown that inclusion of appropriate phase compensation in the governor control loop can improve dynamic and transient stability, either alone or in conjunction with a PSS in the exciter control loop, without adversely interfering with voltage control or changing steady state power-frequency regulation. (author)

  18. AC system stabilization via phase shift transformer with thyristor commutation

    Oliveira, Jose Carlos de; Guimaraes, Geraldo Caixeta; Moraes, Adelio Jose [Uberlandia Univ., MG (Brazil); Abreu, Jose Policarpo G. de [Escola Federal de Engenharia de Itajuba, MG (Brazil); Oliveira, Edimar Jose de [Juiz de Fora Univ., MG (Brazil)

    1994-12-31

    This article aims to present initially the constructive and operative forms of a phase-shift autotransformer which provides both magnitude and phase angle change through thyristor commutation, including a technic to reduce the number of thyristors. Following, it is proposed a control system to make such equipment an efficient AC system stabilizing tool. It is presented some simulation results to show the operation of this transformer in an electrical system. (author) 3 refs., 11 figs., 3 tabs.

  19. TEMPERATURE INFLUENCE ON PHASE STABILITY OF ETHANOL-GASOLINE MIXTURES

    Valerian Cerempei

    2011-06-01

    Full Text Available The article investigates phase stability of ethanol-gasoline mixtures depending on their composition, water concentration in ethanol and ethanol-gasoline mixture and temperature. There have been determined the perfect functioning conditions of spark ignition engines fueled with ethanol-gasoline mixtures.

  20. Phase stability of silver particles embedded calcium phosphate ...

    Abstract. In this paper, we report the compositional variation-dependent phase stability of hydroxyapatite ... material along with other calcium phosphate bioceramics.3–5 ... Model U-3310). ... recorded using a Field Emissio scanning electron microscope .... the colour change of the silver-doped samples only after sin-.

  1. Stability of interfacial waves in two-phase flows

    Liu, W S [Ontario Hydro, Toronto, ON (Canada)

    1996-12-31

    The influence of the interfacial pressure and the flow distribution in the one-dimensional two-fluid model on the stability problems of interfacial waves is discussed. With a proper formulation of the interfacial pressure, the following two-phase phenomena can be predicted from the stability and stationary criteria of the interfacial waves: onset of slug flow, stationary hydraulic jump in a stratified flow, flooding in a vertical pipe, and the critical void fraction of a bubbly flow. It can be concluded that the interfacial pressure plays an important role in the interfacial wave propagation of the two-fluid model. The flow distribution parameter may enhance the flow stability range, but only plays a minor role in the two-phase characteristics. (author). 20 refs., 3 tabs., 4 figs.

  2. Wigner Distribution Functions as a Tool for Studying Gas Phase Alkali Metal Plus Noble Gas Collisions

    2014-03-27

    WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR STUDYING GAS PHASE ALKALI METAL PLUS NOBLE GAS COLLISIONS THESIS Keith A. Wyman, Second Lieutenant, USAF...the U.S. Government and is not subject to copyright protection in the United States. AFIT-ENP-14-M-39 WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR...APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED AFIT-ENP-14-M-39 WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR STUDYING GAS PHASE ALKALI METAL PLUS

  3. Phases stability of shape memory alloys Cu based under irradiation

    Zelaya, Maria Eugenia

    2006-01-01

    The effects of irradiation on the relative phase stability of phases related by a martensitic transformation in copper based shape memory alloys were studied in this work.Different kind of particles and energies were employed in the irradiation experiments.The first kind of irradiation was performed with 2,6 MeV electrons, the second one with 170 keV and 300 keV Cu ions and the third one with swift heavy ions (Kr, Xe, Au) with energies between 200 and 600 MeV.Stabilization of the 18 R martensite in Cu-Zn-Al-Ni induced by electron irradiation was studied.The results were compared to those of the stabilization induced by quenching and ageing in the same alloy, and the ones obtained by irradiation in 18 R-Cu-Zn-Al alloys.The effects of Cu irradiation over b phase were analyzed with several electron microscopy techniques including: scanning electron microscopy (S E M), high resolution electron microscopy (H R E M), micro diffraction and X-ray energy dispersive spectroscopy (E D S). Structural changes in Cu-Zn-Al b phase into a closed packed structure were induced by Cu ion implantation.The closed packed structures depend on the irradiation fluence.Based on these results, the interface between these structures (closed packed and b) and the stability of disordered phases were analyzed. It was also compared the evolution of long range order in the Cu-Zn-Al and in the Cu-Zn-Al-Ni b phase as a function of fluence.The evolution of the g phase was also compared. Both results were discussed in terms of the mobility of irradiation induced point defects.Finally, the effects induced by swift heavy ions in b phase and 18 R martensite were studied. The results of the irradiation in b phase were qualitatively similar to those produced by irradiation with lower energies. On the contrary, nano metric defects were found in the irradiated 18 R martensite.These defects were characterized by H R E M.The characteristic contrast of the defects was associated to a local change in the

  4. Modified Vivaldi antenna with improved gain and phase center stability

    Zhang, Shuai

    2016-01-01

    A modified Vivaldi antenna is proposed with improved gain and phase centre stability. By applying a high permittivity dielectric substrate, the realized gain is enlarged while maintaining the compactness of the designed antenna. With a redistributed comb-shape corrugation the phase centre stabili...... of the antenna is significantly improved. The designed modified Vivaldi antenna covers the lower UWB band of 3.1-5 GHz with a realized gain higher than 10 dBi. A stable phase centre and radiation patterns over the operating band are realized....

  5. The Ultrafast Wolff Rearrangement in the Gas Phase

    Steinbacher, Andreas; Roeding, Sebastian; Brixner, Tobias; Nuernberger, Patrick

    The Wolff rearrangement of gas-phase 5-diazo Meldrum's acid is disclosed with femtosecond ion spectroscopy. Distinct differences are found for 267 nm and 200 nm excitation, the latter leading to even two ultrafast rearrangement reactions.

  6. Reticulated Vitreous Carbon Electrodes for Gas Phase Pulsed Corona Reactors

    Locke, B

    1998-01-01

    A new design for gas phase pulsed corona reactors incorporating reticulated vitreous carbon electrodes is demonstrated to be effective for the removal of nitrogen oxides from synthetic air mixtures...

  7. GAS PHASE ION CHEMISTRY OF COUMARINS: AB INITIO ...

    B. S. Chandravanshi

    The gas phase ion chemistry of coumarins using electron ionization (EI), positive chemical ionization (PCI) and ... Figure 1. Generic chemical structures of the coumarins in this study. ..... Part of this work was conducted using the resources of ...

  8. Reticulated Vitreous Carbon Electrodes for Gas Phase Pulsed Corona Reactors

    LOCKE, B

    1999-01-01

    A new design for gas phase pulsed corona reactors incorporating reticulated vitreous carbon electrodes is demonstrated to be effective for the removal of nitrogen oxides from synthetic air mixtures...

  9. Diode Laser Raman Scattering Prototype Gas-Phase Environmental Monitoring

    Benner, Robert

    1999-01-01

    We proposed developing a diode-laser-based, full spectrum Raman scattering instrument incorporating a multipass, external cavity enhancement cell for full spectrum, gas phase analysis of environmental pollutants...

  10. Laser spectroscopy and gas-phase chemistry in CVD

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

    1986-01-01

    The experimental work involves the use of laser spectroscopic techniques for in situ measurements on the gas phase in a chemical vapor deposition reactor. The theoretical part of the program consists of a computer model of the coupled fluid mechanics and gas-phase chemical kinetics of silane decomposition and subsequent reactions of intermediate species. The laser measurements provide extensive data for thoroughly testing the predictive capabilities of the model

  11. Comparison of catalytic ethylene polymerization in slurry and gas phase

    Daftaribesheli, Majid

    2009-01-01

    Polyethylene (PE) with the annual consumption of 70 million tones in 2007 is mostly produced in slurry, gas-phase or combination of both processes. This work focuses on a comparison between the slurry and gas phase processes. Why does PE produced in theses two processes can show extremely different properties and extremely different reaction behaviour even if the same Ziegler-Natta (ZN) catalyst is used? Generally, it is known that the reason can be found in the differences of local condition...

  12. The Condensation effect on the two-phase flow stability

    Abdou Mohamed, Hesham Nagah

    2005-01-01

    A one-dimensional analytical model has been developed to be used for the linear analysis of density-wave oscillations in a parallel heated channel and a natural circulation loop.The heater and the riser sections are divided into a single-phase and a two-phase region.The two-phase region is represented by the drift-flux model. The model accounts for aphasic slip and subcooled boiling.The localized friction at the heater and the riser exit is treated considering the two-phase mixture.Also the effects of the condensation in the riser and the change in the system pressure have been studied.The exact equation for the heated channel and the total loop pressure drop is perturbed around the steady state.he stability characteristics of the heated channel and the loop are investigated using the Root finding method criterion.The results are summarized on instability maps in the plane of subcooled boiling number vs. phase change number (i.e., inlet subcooling vs. heater heat flux).The predictions of the model are compared with experimental results published in open literature. The results show that, the treatment effect of localized friction in two-phase mixtures stabilizes the system and improves the agreement of the calculations with the experimental results.For a parallel heated channel, the results indicate a more stable system with high inlet restriction, low outlet restriction, and high inlet velocity. And for a natural circulation loop, an increase in the inlet restriction broadened the range of the continuous circulation mode and stabilized the system, a decrease in the exit restriction or the liquid charging level shifted to the right the range of the continuous circulation mode and stabilized the system and an increase in the riser condensation shifted to the right the range of the continuous circulation mode and stabilized the system.The results show that the model agrees well with the available experimental data. In particular, the results show the significance of

  13. Electron spectrometer for gas-phase spectroscopy

    Bozek, J.D.; Schlachter, A.S. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)

    1997-04-01

    An electron spectrometer for high-resolution spectroscopy of gaseous samples using synchrotron radiation has been designed and constructed. The spectrometer consists of a gas cell, cylindrical electrostatic lens, spherical-sector electron energy analyzer, position-sensitive detector and associated power supplies, electronics and vacuum pumps. Details of the spectrometer design are presented together with some representative spectra.

  14. Axial compressor gas path design for desensitization of aerodynamic performance and stability to tip clearance

    Cevik, Mert

    Tip clearance is the necessary small gap left between the moving rotor tip and stationary shroud of a turbomachine. In a compressor, the pressure driven flow through this gap, called tip clearance flow, has a major and generally detrimental impact on compressor performance (pressure ratio and efficiency) and aerodynamic stability (stall margin). The increase in tip clearance, either temporary during transient engine operations or permanent from wear, leads to a drop in compressor performance and aerodynamic stability which results in a fuel consumption increase and a reduced operating envelope for a gas turbine engine. While much research has looked into increasing compressor performance and stall margin at the design (minimum or nominal) tip clearance, very little attention has been paid for reducing the sensitivity of these parameters to tip clearance size increase. The development of technologies that address this issue will lead to aircraft engines whose performance and operating envelope are more robust to operational demands and wear. The current research is the second phase of a research programme to develop design strategies to reduce the sensitivity of axial compressor performance and aerodynamic stability to tip clearance. The first phase had focused on blade design strategies and had led to the discovery and explanation of two flow features that reduces tip sensitivity, namely increased incoming meridional momentum in the rotor tip region and reduction/elimination of double leakage. Double leakage is the flow that exits one tip clearance and enters the tip clearance of the adjacent blade instead of convecting downstream out of the rotor passage. This flow was shown to be very detrimental to compressor performance and stall margin. Two rotor design strategies involving sweep and tip stagger reduction were proposed and shown by CFD simulations to exploit these features to reduce sensitivity. As the second phase, the objectives of the current research

  15. Phase Stability Diagrams for High Temperature Corrosion Processes

    J. J. Ramos-Hernandez

    2013-01-01

    Full Text Available Corrosion phenomena of metals by fused salts depend on chemical composition of the melt and environmental conditions of the system. Detail knowledge of chemistry and thermodynamic of aggressive species formed during the corrosion process is essential for a better understanding of materials degradation exposed to high temperature. When there is a lack of kinetic data for the corrosion processes, an alternative to understand the thermodynamic behavior of chemical species is to utilize phase stability diagrams. Nowadays, there are several specialized software programs to calculate phase stability diagrams. These programs are based on thermodynamics of chemical reactions. Using a thermodynamic data base allows the calculation of different types of phase diagrams. However, sometimes it is difficult to have access to such data bases. In this work, an alternative way to calculate phase stability diagrams is presented. The work is exemplified in the Na-V-S-O and Al-Na-V-S-O systems. This system was chosen because vanadium salts is one of the more aggressive system for all engineering alloys, especially in those processes where fossil fuels are used.

  16. Gas hydrate phase equilibria measurement techniques and phase rule considerations

    Beltran, Juan G.; Bruusgaard, Hallvard; Servio, Phillip

    2012-01-01

    Highlights: → Inconsistencies found in hydrate literature. → Clarification to the number of variables needed to satisfy and justify equilibrium data. → Application of phase rule to mixed hydrate systems. → Thermodynamically consistent format to present data. - Abstract: A brief review of the Gibbs phase rule for non-reacting systems and its correct application to clathrate hydrates is presented. Clarification is provided for a common mistake found in hydrate phase-equilibria literature, whereby initial compositions are used as intensive variables to satisfy the Gibbs phase rule instead of the equilibrium values. The system of (methane + carbon dioxide + water) under (hydrate + liquid + vapor) equilibrium is used as a case study to illustrate key points and suggestions to improve experimental techniques are proposed.

  17. Device to remove hydrogen isotopes from a gas phase

    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

  18. METHANE GAS STABILIZES SUPERCOOLED ETHANE DROPLETS IN TITAN'S CLOUDS

    Wang, Chia C.; Lang, E. Kathrin; Signorell, Ruth

    2010-01-01

    Strong evidence for ethane clouds in various regions of Titan's atmosphere has recently been found. Ethane is usually assumed to exist as ice particles in these clouds, although the possible role of liquid and supercooled liquid ethane droplets has been recognized. Here, we report on infrared spectroscopic measurements of ethane aerosols performed in the laboratory under conditions mimicking Titan's lower atmosphere. The results clearly show that liquid ethane droplets are significantly stabilized by methane gas which is ubiquitous in Titan's nitrogen atmosphere-a phenomenon that does not have a counterpart for water droplets in Earth's atmosphere. Our data imply that supercooled ethane droplets are much more abundant in Titan's clouds than previously anticipated. Possibly, these liquid droplets are even more important for cloud processes and the formation of lakes than ethane ice particles.

  19. FORTRAN program for calculating liquid-phase and gas-phase thermal diffusion column coefficients

    Rutherford, W.M.

    1980-01-01

    A computer program (COLCO) was developed for calculating thermal diffusion column coefficients from theory. The program, which is written in FORTRAN IV, can be used for both liquid-phase and gas-phase thermal diffusion columns. Column coefficients for the gas phase can be based on gas properties calculated from kinetic theory using tables of omega integrals or on tables of compiled physical properties as functions of temperature. Column coefficients for the liquid phase can be based on compiled physical property tables. Program listings, test data, sample output, and users manual are supplied for appendices

  20. GAS-PHASE CHEMISTRY OF THE CYANATE ION, OCN−

    Cole, Callie A.; Wang, Zhe-Chen; Bierbaum, Veronica M.; Snow, Theodore P.

    2015-01-01

    Cyanate (OCN − ) is the only ion to date whose presence has been confirmed in the icy mantles that coat interstellar dust grains. Understanding the chemical behavior of cyanate at a fundamental level is therefore integral to the advancement of astrochemistry. We seek to unravel the chemistry of this intriguing anion through a combination of gas-phase experiments and theoretical explorations. Our approach is twofold: first, employing a flowing afterglow-selected ion flow tube apparatus, the reactions between OCN − and three of the most abundant atomic species in the interstellar medium, hydrogen, nitrogen, and oxygen, are examined. Hydrogen atoms readily react by associative detachment, but the remarkable stability of OCN − does not give rise to an observable reaction with either nitrogen or oxygen atoms. To explain these results, the potential energy surfaces of several reactions are investigated at the B3LYP/6-311++G(d,p) level of theory. Second, collision induced dissociation experiments involving deprotonated uracil, thymine, and cytosine in an ion trap mass spectrometer reveal an interesting connection between these pyrimidine nucleobase anions and OCN − . Theoretical calculations at the B3LYP/6-311++G(d,p) level of theory are performed to delineate the mechanisms of dissociation and explore the possible role of OCN − as a biomolecule precursor

  1. Evaluation of gamma radiation effects on stationary phases using gas chromatografy

    Basso, M.A.; Collins, K.E.; Collins, C.H.

    1988-01-01

    The overall objetive of this project is a thorough study of the effect of gamma radiation on supported stationary phases used in packed-column gas chromatography. The phases studied were SP-2100 on Supelcoport and SE-30 on Chromsorb W. The fases were irradiated with cobalt-60 gamma rays to various doses and subsequently subjected to tests of extractability, termal stability and efficiency as a chromatographic column packing. Extraction tests indicate that low doses of radiation are sufficient to produce significant immobilization of these polymethylsilicones; that is, to produce chemical bonds between different polymer chains or between the stationary phase and the support. Thermal stability is also increased. The values calculated for the number of theoretical plates (n) and resolution (Rsub (s)) after analysis of four synthetic mixtures of organic compounds also increase, in most cases, indicating that the gamma irradiation has positively altered the behavior of these stationary phases. (author) [pt

  2. Stability of the 1144 phase in iron pnictides

    Song, B. Q.; Nguyen, Manh Cuong; Wang, C. Z.; Ho, K. M.

    2018-03-01

    A series of iron arsenides (e.g., CaRbFe4As4 , SrCsFe4As4 ) have been discovered recently, and have provoked a rise in superconductor searches in a different phase, known as the 1144 phase. For the presence of various chemical substitutions, it is believed that more 1144 compounds remain to be discovered. In this work, we perform general model analysis as well as scenario calculation on a basis of density functional theory to investigate phase stability in a variety of compounds. We predict that the 1144-type phase could be stabilized in EuKFe4As4 , EuRbFe4As4 , EuCsFe4As4 , CaCsFe4P4 , SrCsFe4P4 , BaCsFe4P4 , InCaFe4As4 , InSrFe4As4 , etc. Remarkably, it involves rare earths, trivalence elements (e.g., indium) and iron phosphides, which greatly expands the range of its existence and suggests a promising prospect for experimental synthesis. In addition, we find that the formation of many random doping compounds (e.g., Ba0.5Cs0.5Fe2As2 , Ba0.5Rb0.5Fe2As2 ) is driven by entropy and could be annealed to a 1144-type phase. Eventually, we plot a phase diagram about two structural factors Δ a and Δ c , giving a bird's-eye view of stability of various 1144 compounds.

  3. Gas hydrates stability zone thickness map of Indian deep offshore areas - A GIS based approach

    Rastogi, A.; Deka, B.; Bhattacharya, G.C.; Ramprasad, T.; KameshRaju, K.A.; Srinivas, K.; Murty, G.P.S.; Chaubey, A.K.; Ramana, M.V.; Subrahmanyam, V.; Sarma, K.V.L.N.S.; Desa, M.; Paropkari, A.L.; Menezes, A.A.A.; Murty, V.S.N.; Antony, M.K.; SubbaRaju, L.V.; Desa, E.; Veerayya, M.

    hydrate occurrence in offshore regions and around the Indian sub-continent. This was accomplished by estimating the gas hydrate stability zone (GHSZ) thickness from the saptial analysis of the physical parameters that control the formation and stability...

  4. Phase stability and electronic structure of transition-metal aluminides

    Carlsson, A.E.

    1992-01-01

    This paper will describe the interplay between die electronic structure and structural energetics in simple, complex, and quasicrystalline Al-transition metal (T) intermetallics. The first example is the Ll 2 -DO 22 competition in Al 3 T compounds. Ab-initio electronic total-energy calculations reveal surprisingly large structural-energy differences, and show that the phase stability of both stoichiometric and ternary-substituted compounds correlates closely with a quasigap in the electronic density of states (DOS). Secondly, ab-initio calculations for the structural stability of the icosahedrally based Al 12 W structure reveal similar quasigap effects, and provide a simple physical explanation for the stability of the complex aluminide structures. Finally, parametrized tight-binding model calculations for the Al-Mn quasicrystal reveal a large spread in the local Mn DOS behavior, and support a two-site model for the quasicrystal's magnetic behavior

  5. Real space multiple scattering description of alloy phase stability

    Turchi, P.E.A.; Sluiter, M.

    1992-01-01

    This paper presents a brief overview of the advanced methodology which has been recently developed to study phase stability properties of substitutional alloys, including order-disorder phenomena and structural transformations. The approach is based on the real space version of the Generalized Perturbation Method first introduced by Ducastelle and Gautier, within the Korringa-Kohn-Rostoker multiple scattering formulation of the Coherent Potential Approximation. Temperature effects are taken into account with a generalized meanfield approach, namely the Cluster Variation Method. The viability and the predictive power of such a scheme will be illustrated by a few examples, among them: the ground state properties of alloys, in particular the ordering tendencies for a series of equiatomic bcc-based alloys, the computation of alloy phase diagrams with the case of fcc and bcc-based Ni-Al alloys, the calculation of antiphase boundary energies and interfacial energies, and the stability of artificial ordered superlattices

  6. Stability characteristics of a single-phase free convection loop

    Creveling, H. F.; De Paz, J. F.; Baladi, J. Y.; Schoenhals, R. J.

    1975-01-01

    Experiments investigating the stability characteristics of a single-phase free convection loop are reported. Results of the study confirm the contention made by previous workers that instabilities near the thermodynamic critical point can occur for ordinary fluids as well as those with unusual behavior in the near-critical region. Such a claim runs counter to traditional beliefs, but it is supported by the observation of such instabilities for water at atmospheric pressure and moderate temperatures in the present work.

  7. Passivity Based Stabilization of Non-minimum Phase Nonlinear Systems

    Travieso-Torres, J.C.; Duarte-Mermoud, M.A.; Zagalak, Petr

    2009-01-01

    Roč. 45, č. 3 (2009), s. 417-426 ISSN 0023-5954 R&D Projects: GA ČR(CZ) GA102/07/1596 Institutional research plan: CEZ:AV0Z10750506 Keywords : nonlinear systems * stabilisation * passivity * state feedback Subject RIV: BC - Control Systems Theory Impact factor: 0.445, year: 2009 http://library.utia.cas.cz/separaty/2009/AS/zagalak-passivity based stabilization of non-minimum phase nonlinear systems.pdf

  8. Microfabricated Gas Phase Chemical Analysis Systems

    FRYE-MASON, GREGORY CHARLES; HELLER, EDWIN J.; HIETALA, VINCENT M.; KOTTENSTETTE, RICHARD; LEWIS, PATRICK R.; MANGINELL, RONALD P.; MATZKE, CAROLYN M.; WONG, CHUNGNIN C.

    1999-01-01

    A portable, autonomous, hand-held chemical laboratory ((micro)ChemLab(trademark)) is being developed for trace detection (ppb) of chemical warfare (CW) agents and explosives in real-world environments containing high concentrations of interfering compounds. Microfabrication is utilized to provide miniature, low-power components that are characterized by rapid, sensitive and selective response. Sensitivity and selectivity are enhanced using two parallel analysis channels, each containing the sequential connection of a front-end sample collector/concentrator, a gas chromatographic (GC) separator, and a surface acoustic wave (SAW) detector. Component design and fabrication and system performance are described

  9. Aging and Phase Stability of Waste Package Outer Barrier

    Tammy S. Edgecumble Summers

    2001-08-23

    This Analysis Model Report (AMR) was prepared in accordance with the Work Direction and Planning Document, ''Aging and Phase Stability of Waste Package Outer Barrier'' (CRWMS M&O 1999a). ICN 01 of this AMR was developed following guidelines provided in TWP-MGR-MD-000004 REV 01, ''Technical Work Plan for: Integrated Management of Technical Product Input Department'' (BSC 2001, Addendum B). It takes into consideration the Enhanced Design Alternative II (EDA II), which has been selected as the preferred design for the Engineered Barrier System (EBS) by the License Application Design Selection (LADS) program team (CRWMS M&O 1999b). The salient features of the EDA II design for this model are a waste package (WP) consisting of an outer barrier of Alloy 22 and an inner barrier of Type 316L stainless steel. This report provides information on the phase stability of Alloy 22l, the current waste-package-outer-barrier (WPOB) material. These phase stability studies are currently divided into three general areas: (1) Long-range order reactions; (2) Intermetallic and carbide precipitation in the base metal; and (3) Intermetallic and carbide precipitation in welded samples.

  10. Aging and Phase Stability of Waste Package Outer Barrier

    F. Wong

    2004-09-28

    This report was prepared in accordance with ''Technical Work Plan for: Regulatory Integration Modeling and Analysis of the Waste Form and Waste Package'' (BSC 2004 [DIRS 171583]). This report provides information on the phase stability of Alloy 22, the current waste package outer barrier material. The goal of this model is to determine whether the single-phase solid solution is stable under repository conditions and, if not, how fast other phases may precipitate. The aging and phase stability model, which is based on fundamental thermodynamic and kinetic concepts and principles, will be used to provide predictive insight into the long-term metallurgical stability of Alloy 22 under relevant repository conditions. The results of this model are used by ''General Corrosion and Localized Corrosion of Waste Package Outer Barrier'' as reference-only information. These phase stability studies are currently divided into three general areas: Tetrahedrally close-packed (TCP) phase and carbide precipitation in the base metal; TCP and carbide precipitation in welded samples; and Long-range ordering reactions. TCP-phase and carbide precipitates that form in Alloy 22 are generally rich in chromium (Cr) and/or molybdenum (Mo) (Raghavan et al. 1984 [DIRS 154707]). Because these elements are responsible for the high corrosion resistance of Alloy 22, precipitation of TCP phases and carbides, especially at grain boundaries, can lead to an increased susceptibility to localized corrosion in the alloy. These phases are brittle and also tend to embrittle the alloy (Summers et al. 1999 [DIRS 146915]). They are known to form in Alloy 22 at temperatures greater than approximately 600 C. Whether these phases also form at the lower temperatures expected in the repository during the 10,000-year regulatory period must be determined. The kinetics of this precipitation will be determined for both the base metal and the weld heat-affected zone (HAZ). The TCP

  11. Aging and Phase Stability of Waste Package Outer Barrier

    F. Wong

    2004-01-01

    This report was prepared in accordance with ''Technical Work Plan for: Regulatory Integration Modeling and Analysis of the Waste Form and Waste Package'' (BSC 2004 [DIRS 171583]). This report provides information on the phase stability of Alloy 22, the current waste package outer barrier material. The goal of this model is to determine whether the single-phase solid solution is stable under repository conditions and, if not, how fast other phases may precipitate. The aging and phase stability model, which is based on fundamental thermodynamic and kinetic concepts and principles, will be used to provide predictive insight into the long-term metallurgical stability of Alloy 22 under relevant repository conditions. The results of this model are used by ''General Corrosion and Localized Corrosion of Waste Package Outer Barrier'' as reference-only information. These phase stability studies are currently divided into three general areas: Tetrahedrally close-packed (TCP) phase and carbide precipitation in the base metal; TCP and carbide precipitation in welded samples; and Long-range ordering reactions. TCP-phase and carbide precipitates that form in Alloy 22 are generally rich in chromium (Cr) and/or molybdenum (Mo) (Raghavan et al. 1984 [DIRS 154707]). Because these elements are responsible for the high corrosion resistance of Alloy 22, precipitation of TCP phases and carbides, especially at grain boundaries, can lead to an increased susceptibility to localized corrosion in the alloy. These phases are brittle and also tend to embrittle the alloy (Summers et al. 1999 [DIRS 146915]). They are known to form in Alloy 22 at temperatures greater than approximately 600 C. Whether these phases also form at the lower temperatures expected in the repository during the 10,000-year regulatory period must be determined. The kinetics of this precipitation will be determined for both the base metal and the weld heat-affected zone (HAZ). The TCP phases (P, μ, and σ) are present in

  12. SVOC partitioning between the gas phase and settled dust indoors

    Weschler, Charles J.; Nazaroff, William W.

    2010-09-01

    Semivolatile organic compounds (SVOCs) are a major class of indoor pollutants. Understanding SVOC partitioning between the gas phase and settled dust is important for characterizing the fate of these species indoors and the pathways by which humans are exposed to them. Such knowledge also helps in crafting measurement programs for epidemiological studies designed to probe potential associations between exposure to these compounds and adverse health effects. In this paper, we analyze published data from nineteen studies that cumulatively report measurements of dustborne and airborne SVOCs in more than a thousand buildings, mostly residences, in seven countries. In aggregate, measured median data are reported in these studies for 66 different SVOCs whose octanol-air partition coefficients ( Koa) span more than five orders of magnitude. We use these data to test a simple equilibrium model for estimating the partitioning of an SVOC between the gas phase and settled dust indoors. The results demonstrate, in central tendency, that a compound's octanol-air partition coefficient is a strong predictor of its abundance in settled dust relative to its gas phase concentration. Using median measured results for each SVOC in each study, dustborne mass fractions predicted using Koa and gas-phase concentrations correlate reasonably well with measured dustborne mass fractions ( R2 = 0.76). Combined with theoretical understanding of SVOC partitioning kinetics, the empirical evidence also suggests that for SVOCs with high Koa values, the mass fraction in settled dust may not have sufficient time to equilibrate with the gas phase concentration.

  13. Effect of electrostatic interactions on phase stability of cubic phases of biomembranes.

    Li, Shu Jie; Masum, Shah Md; Yamashita, Yuko; Tamba, Yukihiro; Yamazaki, Masahito

    2002-06-01

    We investigated effect of electrostatic interactions due to surfacecharges on structures and stability of cubic phases of monoolein (MO)membrane using the small-angle X-ray scattering method. Firstly, wechanged the surface charge density of the membrane by usingdioleoylphosphatidic acid (DOPA). As increasing DOPA concentration in themembrane at 30 wt % lipid concentration, a Q(224) to Q(229) phasetransition occurred at 0.6 mol % DOPA, and at and above 25 mol %, DOPA/MOmembranes were in the L(α) phase. NaCl in the bulk phase reduced theeffect of DOPA. These results indicate that as the electrostaticinteractions increase, the most stable phase changes as follows: Q(224)⇒ Q(229) ⇒ L(α). The increase in DOPAconcentration reduced the absolute value of spontaneous curvature of themembrane, | H(0) |. Secondly, we changed the surface charge of themembrane by adding a de novo designed peptide, which has netpositive charges and a binding site on the electrically neutral membraneinterface. The peptide-1 (WLFLLKKK) induced a Q(224) to Q(229)phase transition in the MO membrane at low peptide concentration. As NaClconcentration increases, the MO/peptide-1 membrane changed from Q(229)to Q(224) phase. The increase in peptide-1 concentration reduced |H(0) |. Based on these results, the stability of the cubic phases and themechanism of phase transition between cubic phase and L(α) phase arediscussed.

  14. Gas phase reactivity of thermal metal clusters

    Castleman, A.W. Jr.; Harms, A.C.; Leuchtner, R.E.

    1991-01-01

    Reaction kinetics of metal cluster ions under well defined thermal conditions were studied using a flow tube reactor in combination with laser vaporization. Aluminum anions and cations were reacted with oxygen, and several species which are predicted jellium shell closings, were found to have special stability. Metal alloy cluster anions comprised of Al, V and Nb were also seen to react with oxygen. Alloy clusters with an even number of electrons reacted more slowly than odd electron species, and certain clusters appeared to be exceptionally unreactive. Copper cation clusters were observed to associate with carbon monoxide with reactivities that approach bulk behavior at surprisingly small cluster size. These reactions demonstrate how the rate of reaction changes with cluster size. (orig.)

  15. Gas phase reactivity of thermal metal clusters

    Castleman, A. W., Jr.; Harms, A. C.; Leuchtner, R. E.

    1991-03-01

    Reaction kinetics of metal cluster ions under well defined thermal conditions were studied using a flow tube reactor in combination with laser vaporization. Aluminum anions and cations were reacted with oxygen, and several species which are predicted jellium shell closings, were found to have special stability. Metal alloy cluster anions comprised of Al, V and Nb were also seen to react with oxygen. Alloy clusters with an even number of electrons reacted more slowly than odd electron species, and certain clusters appeared to be exceptionally unreactive. Copper cation clusters were observed to associate with carbon monoxide with reactivities that approach bulk behavior at surprisingly small cluster size. These reactions demonstrate how the rate of reaction changes with cluster size.

  16. Gas Phase Sulfur, Chlorine and Potassium Chemistry in Biomass Combustion

    Løj, Lusi Hindiyarti

    2007-01-01

    Gas Phase Sulfur, Chlorine and Alkali Metal Chemistry in Biomass Combustion Concern about aerosols formation, deposits, corrosion, and gaseous emissions during biomass combustion, especially straw, continues to be a driving force for investigation on S, Cl, K-containing species under combustions...... conditions. These trace species contained in the biomass structure will be released to the gas phase during combustion and contribute to the problems generated during the process. The investigation during this PhD project is done to stepwise improve the understanding in the chemistry and reduce...... the uncertainties. In the present work, the detailed kinetic model for gas phase sulfur, chlorine, alkali metal, and their interaction has been updated. The K/O/H/Cl chemistry, S chemistry, and their interaction can reasonably predict a range of experimental data. In general, understanding of the interaction...

  17. Phase space analysis of some interacting Chaplygin gas models

    Khurshudyan, M. [Academy of Sciences of Armenia, Institute for Physical Research, Ashtarak (Armenia); Tomsk State University of Control Systems and Radioelectronics, Laboratory for Theoretical Cosmology, Tomsk (Russian Federation); Tomsk State Pedagogical University, Department of Theoretical Physics, Tomsk (Russian Federation); Myrzakulov, R. [Eurasian National University, Eurasian International Center for Theoretical Physics, Astana (Kazakhstan)

    2017-02-15

    In this paper we discuss a phase space analysis of various interacting Chaplygin gas models in general relativity. Linear and nonlinear sign changeable interactions are considered. For each case appropriate late time attractors of field equations are found. The Chaplygin gas is one of the dark fluids actively considered in modern cosmology due to the fact that it is a joint model of dark energy and dark matter. (orig.)

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

    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)

  19. Gas-phase transport of fission products

    Tang, I.N.; Munkelwitz, H.R.

    1982-01-01

    The paper presents the results of an experimental investigation to show the importance of nuclear aerosol formation as a mechanism for semi-volatile fission product transport under certain postulated HTGR accident conditions. Simulated fission product Sr and Ba as oxides are impregnated in H451 graphite and released at elevated temperatures into a dry helium flow. In the presence of graphite, the oxides are quantitatively reduced to metals, which subsequently vaporize at temperatures much lower than required for the oxides alone to vaporize in the absence of graphite. A substantial fraction of the released material is associated with particulate matter, which is collected on filters located downstream at ambient temperatures. Increasing carrier-gas flow rate greatly enhances the extent of particulate transport. The release and transport of simulated fission product Ag as metal are also investigated. Electron microscopic examinations of the collected Sr and Ag aerosols show large agglomerates composed of primary particles roughly 0.06 to 0.08 μm in diameter

  20. Understanding Gas-Phase Ammonia Chemistry in Protoplanetary Disks

    Chambers, Lauren; Oberg, Karin I.; Cleeves, Lauren Ilsedore

    2017-01-01

    Protoplanetary disks are dynamic regions of gas and dust around young stars, the remnants of star formation, that evolve and coagulate over millions of years in order to ultimately form planets. The chemical composition of protoplanetary disks is affected by both the chemical and physical conditions in which they develop, including the initial molecular abundances in the birth cloud, the spectrum and intensity of radiation from the host star and nearby systems, and mixing and turbulence within the disk. A more complete understanding of the chemical evolution of disks enables a more complete understanding of the chemical composition of planets that may form within them, and of their capability to support life. One element known to be essential for life on Earth is nitrogen, which often is present in the form of ammonia (NH3). Recent observations by Salinas et al. (2016) reveal a theoretical discrepancy in the gas-phase and ice-phase ammonia abundances in protoplanetary disks; while observations of comets and protostars estimate the ice-phase NH3/H2O ratio in disks to be 5%, Salinas reports a gas-phase NH3/H2O ratio of ~7-84% in the disk surrounding TW Hydra, a young nearby star. Through computational chemical modeling of the TW Hydra disk using a reaction network of over 5000 chemical reactions, I am investigating the possible sources of excess gas-phase NH3 by determining the primary reaction pathways of NH3 production; the downstream chemical effects of ionization by ultraviolet photons, X-rays, and cosmic rays; and the effects of altering the initial abundances of key molecules such as N and N2. Beyond providing a theoretical explanation for the NH3 ice/gas discrepancy, this new model may lead to fuller understanding of the gas-phase formation processes of all nitrogen hydrides (NHx), and thus fuller understanding of the nitrogen-bearing molecules that are fundamental for life as we know it.

  1. Linear stability analysis of the gas injection augmented natural circulation of STAR-LM

    Yeon-Jong Yoo; Qiao Wu; James J Sienicki

    2005-01-01

    Full text of publication follows: A linear stability analysis has been performed for the gas injection augmented natural circulation of the Secure Transportable Autonomous Reactor - Liquid Metal (STAR-LM). Natural circulation is of great interest for the development of Generation-IV nuclear energy systems due to its vital role in the area of passive safety and reliability. One of such systems is STAR-LM under development by Argonne National Laboratory. STAR-LM is a 400 MWt class modular, proliferation-resistant, and passively safe liquid metal-cooled fast reactor system that uses inert lead (Pb) coolant and the advanced power conversion system that consists of a gas turbine Brayton cycle utilizing supercritical carbon dioxide (CO 2 ) to obtain higher plant efficiency. The primary loop of STAR-LM relies only on the natural circulation to eliminate the use of circulation pumps for passive safety consideration. To enhance the natural circulation of the primary coolant, STAR-LM optionally incorporates the additional driving force provided by the injection of noncondensable gas into the primary coolant above the reactor core, which is effective in removing heat from the core and transferring it to the secondary working fluid without the attainment of excessive coolant temperature at nominal operating power. Therefore, it naturally raises the concern about the natural circulation instability due to the relatively high temperature change in the core and the two-phase flow condition in the hot leg above the core. For the ease of analysis, the flow path of the loop was partitioned into five thermal-hydraulically distinct sections, i.e., heated core, unheated core, hot leg, heat exchanger, and cold leg. The one-dimensional single-phase flow field equations governing the natural circulation, i.e., continuity, momentum, and energy equations, were used for each section except the hot leg. For the hot leg, the one-dimensional homogeneous equilibrium two-phase flow field

  2. Gas-phase photocatalysis in μ-reactors

    Vesborg, Peter Christian Kjærgaard; Olsen, Jakob Lind; Henriksen, Toke Riishøj

    2010-01-01

    Gas-phase photocatalysis experiments may benefit from the high sensitivity and good time response in product detection offered by μ-reactors. We demonstrate this by carrying out CO oxidation and methanol oxidation over commercial TiO2 photocatalysts in our recently developed high-sensitivity reac......Gas-phase photocatalysis experiments may benefit from the high sensitivity and good time response in product detection offered by μ-reactors. We demonstrate this by carrying out CO oxidation and methanol oxidation over commercial TiO2 photocatalysts in our recently developed high...

  3. Post-flame gas-phase sulfation of potassium chloride

    Li, Bo; Sun, Zhiwei; Li, Zhongshan

    2013-01-01

    The sulfation of KCl during biomass combustion has implications for operation and emissions: it reduces the rates of deposition and corrosion, it increases the formation of aerosols, and it leads to higher concentrations of HCl and lower concentrations of SO2 in the gas phase. Rigorously homogene......The sulfation of KCl during biomass combustion has implications for operation and emissions: it reduces the rates of deposition and corrosion, it increases the formation of aerosols, and it leads to higher concentrations of HCl and lower concentrations of SO2 in the gas phase. Rigorously...

  4. Reactive intermediates in the gas phase generation and monitoring

    Setser, D W

    2013-01-01

    Reactive Intermediates in the Gas Phase: Generation and Monitoring covers methods for reactive intermediates in the gas phase. The book discusses the generation and measurement of atom and radical concentrations in flow systems; the high temperature flow tubes, generation and measurement of refractory species; and the electronically excited long-lived states of atoms and diatomic molecules in flow systems. The text also describes the production and detection of reactive species with lasers in static systems; the production of small positive ions in a mass spectrometer; and the discharge-excite

  5. Fischer Indole Synthesis in the Gas Phase, the Solution Phase, and at the Electrospray Droplet Interface.

    Bain, Ryan M; Ayrton, Stephen T; Cooks, R Graham

    2017-07-01

    Previous reports have shown that reactions occurring in the microdroplets formed during electrospray ionization can, under the right conditions, exhibit significantly greater rates than the corresponding bulk solution-phase reactions. The observed acceleration under electrospray ionization could result from a solution-phase, a gas-phase, or an interfacial reaction. This study shows that a gas-phase ion/molecule (or ion/ion) reaction is not responsible for the observed rate enhancement in the particular case of the Fischer indole synthesis. The results show that the accelerated reaction proceeds in the microdroplets, and evidence is provided that an interfacial process is involved. Graphical Abstract GRAPHICAL ABSTRACT TEXT HERE] -->.

  6. Possible gas hydrates on the Bjarmeland Platform; seismic expression and stability modelling

    Løvaas, John Sverre

    2016-01-01

    Seismic evidence of shallow gas anomalies are prominent at Ververis Dome structure and Hoop Fault Complex in Bjarmeland Platform. Ubiquitous high amplitude anomalies at the same depth as these shallow gas anomalies infer a possible relation to gas hydrates. A wide range of fluid flow structures within the two study areas have previously been discovered and reported, and may possibly feed the base of the gas hydrate stability zone (BGHSZ) with upward migrating thermogenic gas. This thesis f...

  7. Analytical study of solids-gas two phase flow

    Hosaka, Minoru

    1977-01-01

    Fundamental studies were made on the hydrodynamics of solids-gas two-phase suspension flow, in which very small solid particles are mixed in a gas flow to enhance the heat transfer characteristics of gas cooled high temperature reactors. Especially, the pressure drop due to friction and the density distribution of solid particles are theoretically analyzed. The friction pressure drop of two-phase flow was analyzed based on the analytical result of the single-phase friction pressure drop. The calculated values of solid/gas friction factor as a function of solid/gas mass loading are compared with experimental results. Comparisons are made for Various combinations of Reynolds number and particle size. As for the particle density distribution, some factors affecting the non-uniformity of distribution were considered. The minimum of energy dispersion was obtained with the variational principle. The suspension density of particles was obtained as a function of relative distance from wall and was compared with experimental results. It is concluded that the distribution is much affected by the particle size and that the smaller particles are apt to gather near the wall. (Aoki, K.)

  8. SVOC partitioning between the gas phase and settled dust indoors

    Weschler, Charles J.; Nazaroff, W. W.

    2010-01-01

    Semivolatile organic compounds (SVOCs) are a major class of indoor pollutants. Understanding SVOC partitioning between the gas phase and settled dust is important for characterizing the fate of these species indoors and the pathways by which humans are exposed to them. Such knowledge also helps...

  9. Gas-Phase IR Spectroscopy of Deprotonated Amino Acids

    Oomens, J.; Steill, J. D.; Redlich, B.

    2009-01-01

    Gas-phase infrared multiple photon dissociation (IRMPD) spectra have been recorded for the conjugate bases of a series of amino acids (Asp, Cys, Glu, Phe, Set, Trp, Tyr). The spectra are dominated by strong symmetric and antisymmetric carboxylate stretching modes around 1300 and 1600 cm(-1),

  10. Gas phase toluene isopropylation over high silica mordenite

    Mordenite (HM) catalysts with three different Si/Al ratios were compared for their activity and selectivities in gas phase toluene isopropylation with isopropanol. Catalyst with Si/Al ratio 44.9 offered better cumene selectivity, hence, it was chosen for detailed kinetic investigations. The influence of various process parameters ...

  11. Multiple Multidentate Halogen Bonding in Solution, in the Solid State, and in the (Calculated) Gas Phase.

    Jungbauer, Stefan H; Schindler, Severin; Herdtweck, Eberhardt; Keller, Sandro; Huber, Stefan M

    2015-09-21

    The binding properties of neutral halogen-bond donors (XB donors) bearing two multidentate Lewis acidic motifs toward halides were investigated. Employing polyfluorinated and polyiodinated terphenyl and quaterphenyl derivatives as anion receptors, we obtained X-ray crystallographic data of the adducts of three structurally related XB donors with tetraalkylammonium chloride, bromide, and iodide. The stability of these XB complexes in solution was determined by isothermal titration calorimetry (ITC), and the results were compared to X-ray analyses as well as to calculated binding patterns in the gas phase. Density functional theory (DFT) calculations on the gas-phase complexes indicated that the experimentally observed distortion of the XB donors during multiple multidentate binding can be reproduced in 1:1 complexes with halides, whereas adducts with two halides show a symmetric binding pattern in the gas phase that is markedly different from the solid state structures. Overall, this study demonstrates the limitations in the transferability of binding data between solid state, solution, and gas phase in the study of complex multidentate XB donors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Tethered Nanoparticle–Polymer Composites: Phase Stability and Curvature

    Srivastava, Samanvaya

    2012-04-17

    Phase behavior of poly(ethylene glycol) (PEG) tethered silica nanoparticles dispersed in PEG hosts is investigated using small-angle X-ray scattering. Phase separation in dispersions of densely grafted nanoparticles is found to display strikingly different small-angle X-ray scattering signatures in comparison to phase-separated composites comprised of bare or sparsely grafted nanoparticles. A general diagram for the dispersion state and phase stability of polymer tethered nanoparticle-polymer composites incorporating results from this as well as various other contemporary studies is presented. We show that in the range of moderate to high grafting densities the dispersion state of nanoparticles in composites is largely insensitive to the grafting density of the tethered chains and chemistry of the polymer host. Instead, the ratio of the particle diameter to the size of the tethered chain and the ratio of the molecular weights of the host and tethered polymer chains (P/N) are shown to play a dominant role. Additionally, we find that well-functionalized nanoparticles form stable dispersions in their polymer host beyond the P/N limit that demarcates the wetting/dewetting transition in polymer brushes on flat substrates interacting with polymer melts. A general strategy for achieving uniform nanoparticle dispersion in polymers is proposed. © 2012 American Chemical Society.

  13. Reactions of newly formed fission products in the gas phase

    Strickert, R.G.

    1976-01-01

    A dynamic gas-flow system was constructed which stopped fission products in the gas phase and rapidly separated (in less than 2 sec) volatile compounds from non-volatile ones. The filter assembly designed and used was shown to stop essentially all non-volatile fission products. Between 5 percent and 20 percent of tellurium fission-product isotopes reacted with several hydrocarbon gases to form volatile compounds, which passed through the filter. With carbon monoxide gas, volatile tellurium compound(s) (probably TeCO) were also formed with similar efficiencies. The upper limits for the yields of volatile compounds formed between CO and tin and antimony fission products were shown to be less than 0.3 percent, so tellurium nuclides, not their precursors, reacted with CO. It was found that CO reacted preferentially with independently produced tellurium atoms; the reaction efficiency of beta-produced atoms was only 27 +- 3 percent of that of the independently formed atoms. The selectivity, which was independent of the over-all reaction efficiency, was shown to be due to reaction of independently formed atoms in the gas phase. The gas phase reactions are believed to occur mainly at thermal energies because of the independence of the yield upon argon moderator mole-fraction (up to 80 percent). It was shown in some experiments that about one-half of the TeCO decomposed in passing through a filter and that an appreciable fraction (approximately 20 percent) of the tellurium atoms deposited on the filter reacted agin with CO. Other tellurium atoms on the filter surface (those formed by beta decay and those formed independently but not reacting in the gas phase) also reacted with CO, but probably somewhat less efficiently than atoms formed by TeCO decomposition. No evidence was found for formation of TeCO as a direct result of beta-decay

  14. Highly Selective Continuous Gas-Phase Methoxycarbonylation of Ethylene with Supported Ionic Liquid Phase (SILP) Catalysts

    Khokarale, Santosh Govind; Garcia Suárez, Eduardo José; Fehrmann, Rasmus

    2017-01-01

    Supported ionic liquid phase (SILP) technology was applied for the first time to the Pd-catalyzed continuous, gas-phase methoxycarbonylation of ethylene to selectively produce methyl propanoate (MP) in high yields. The influence of catalyst and reaction parameters such as, for example, ionic liquid...

  15. Continuous gas-phase hydroformylation of 1-butene using supported ionic liquid phase (SILP) catalysts

    Haumann, Marco; Dentler, Katharina; Joni, Joni

    2007-01-01

    The concept of supported ionic liquid phase (SILP) catalysis has been extended to 1-butene hydroformylation. A rhodium-sulfoxantphos complex was dissolved in [BMIM][n-C8H17OSO3] and this solution was highly dispersed on silica. Continuous gas-phase experiments in a fixed-bed reactor revealed...

  16. A magnetic nanoparticle stabilized gas containing emulsion for multimodal imaging and triggered drug release.

    Guo, Wei; Li, Diancheng; Zhu, Jia-an; Wei, Xiaohui; Men, Weiwei; Yin, Dazhi; Fan, Mingxia; Xu, Yuhong

    2014-06-01

    To develop a multimodal imaging guided and triggered drug delivery system based on a novel emulsion formulation composed of iron oxide nanoparticles, nanoscopic bubbles, and oil containing drugs. Iron oxide paramagnetic nanoparticles were synthesized and modified with surface conjugation of polyethylenimide (PEI) or Bovine Serum Albumin (BSA). Both particles were used to disperse and stabilize oil in water emulsions containing coumarin-6 as the model drug. Sulfur hexafluoride was introduced into the oil phase to form nanoscopic bubbles inside the emulsions. The resulted gas containing emulsions were evaluated for their magnetic resonance (MR) and ultrasound (US) imaging properties. The drug release profile triggered by ultrasound was also examined. We have successfully prepared the highly integrated multi-component emulsion system using the surface modified iron oxide nanoparticles to stabilize the interfaces. The resulted structure had distinctive MR and US imaging properties. Upon application of ultrasound waves, the gas containing emulsion would burst and encapsulated drug could be released. The integrated emulsion formulation was multifunctional with paramagnetic, sono-responsive and drug-carrying characteristics, which may have potential applications for disease diagnosis and imaging guided drug release.

  17. Phase stability of AlYB14 sputtered thin films

    Koelpin, Helmut; Music, Denis; Emmerlich, Jens; Schneider, Jochen M; Henkelman, Graeme; Munnik, Frans

    2009-01-01

    AlYB 14 (Imma) thin films were synthesized by magnetron sputtering. On the basis of x-ray diffraction, no phases other than crystalline AlYB 14 could be identified. According to electron probe microanalysis, energy dispersive x-ray analysis and elastic recoil detection analysis, the Al and Y occupancies vary in the range of 0.73-1.0 and 0.29-0.45, respectively. Density functional theory based calculations were carried out to investigate the effect of occupancy on the stability of Al x Y y B 14 (x,y = 0.25, 0.5, 0.75, 1). The mean effective charge per icosahedron and the bulk moduli were also calculated. It is shown that the most stable configuration is Al 0.5 YB 14 , corresponding to a charge transfer of two electrons from the metal atoms to the boron icosahedra. Furthermore, it is found that the stability of a configuration is increased as the charge is homogeneously distributed within the icosahedra. The bulk moduli for all configurations investigated are in the range between 196 and 220 GPa, rather close to those for known hard phases such as α- Al 2 O 3 .

  18. Zpif's law in the liquid gas phase transition of nuclei

    Ma, Y.G.

    1999-01-01

    Zpif's law in the field of linguistics is tested in the nuclear disassembly within the framework of isospin dependent lattice gas model. It is found that the average cluster charge (or mass) of rank n in the charge (or mass) list shows exactly inversely to its rank, i.e., there exists Zpif's law, at the phase transition temperature. This novel criterion shall be helpful to search the nuclear liquid gas phase transition experimentally and theoretically. In addition, the finite size scaling of the effective phase transition temperature at which the Zpif's law appears is studied for several systems with different mass and the critical exponents of ν and β are tentatively extracted. (orig.)

  19. Solid phase stability of molybdenum under compression: Sound velocity measurements and first-principles calculations

    Zhang, Xiulu [Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, P.O. Box 919-102, 621900 Mianyang, Sichuan (China); Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology, 621010 Mianyang, Sichuan (China); Liu, Zhongli [Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, P.O. Box 919-102, 621900 Mianyang, Sichuan (China); College of Physics and Electric Information, Luoyang Normal University, 471022 Luoyang, Henan (China); Jin, Ke; Xi, Feng; Yu, Yuying; Tan, Ye; Dai, Chengda; Cai, Lingcang [Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, P.O. Box 919-102, 621900 Mianyang, Sichuan (China)

    2015-02-07

    The high-pressure solid phase stability of molybdenum (Mo) has been the center of a long-standing controversy on its high-pressure melting. In this work, experimental and theoretical researches have been conducted to check its solid phase stability under compression. First, we performed sound velocity measurements from 38 to 160 GPa using the two-stage light gas gun and explosive loading in backward- and forward-impact geometries, along with the high-precision velocity interferometry. From the sound velocities, we found no solid-solid phase transition in Mo before shock melting, which does not support the previous solid-solid phase transition conclusion inferred from the sharp drops of the longitudinal sound velocity [Hixson et al., Phys. Rev. Lett. 62, 637 (1989)]. Then, we searched its structures globally using the multi-algorithm collaborative crystal structure prediction technique combined with the density functional theory. By comparing the enthalpies of body centered cubic structure with those of the metastable structures, we found that bcc is the most stable structure in the range of 0–300 GPa. The present theoretical results together with previous ones greatly support our experimental conclusions.

  20. Gas phase decontamination of gaseous diffusion process equipment

    Bundy, R.D.; Munday, E.B.; Simmons, D.W.; Neiswander, D.W.

    1994-01-01

    D ampersand D of the process facilities at the gaseous diffusion plants (GDPs) will be an enormous task. The EBASCO estimate places the cost of D ampersand D of the GDP at the K-25 Site at approximately $7.5 billion. Of this sum, nearly $4 billion is associated with the construction and operation of decontamination facilities and the dismantlement and transport of contaminated process equipment to these facilities. In situ long-term low-temperature (LTLT) gas phase decontamination is being developed and demonstrated at the K-25 site as a technology that has the potential to substantially lower these costs while reducing criticality and safeguards concerns and worker exposure to hazardous and radioactive materials. The objective of gas phase decontamination is to employ a gaseous reagent to fluorinate nonvolatile uranium deposits to form volatile LJF6, which can be recovered by chemical trapping or freezing. The LTLT process permits the decontamination of the inside of gas-tight GDP process equipment at room temperature by substituting a long exposure to subatmospheric C1F for higher reaction rates at higher temperatures. This paper outlines the concept for applying LTLT gas phase decontamination, reports encouraging laboratory experiments, and presents the status of the design of a prototype mobile system. Plans for demonstrating the LTLT process on full-size gaseous diffusion equipment are also outlined briefly

  1. Effect of the purging gas on properties of Ti stabilized AISI 321 stainless steel TIG welds

    Taban, Emel; Kaluc, Erdinc; Aykan, T. Serkan [Kocaeli Univ. (Turkey). Dept. of Mechanical Engineering

    2014-07-01

    Gas purging is necessary to provide a high quality of stainless steel pipe welding in order to prevent oxidation of the weld zone inside the pipe. AISI 321 stabilized austenitic stainless steel pipes commonly preferred in refinery applications have been welded by the TIG welding process both with and without the use of purging gas. As purging gases, Ar, N{sub 2}, Ar + N{sub 2} and N{sub 2} + 10% H{sub 2} were used, respectively. The aim of this investigation is to detect the effect of purging gas on the weld joint properties such as microstructure, corrosion, strength and impact toughness. Macro sections and microstructures of the welds were investigated. Chemical composition analysis to obtain the nitrogen, oxygen and hydrogen content of the weld root was done by Leco analysis. Ferrite content of the beads including root and cap passes were measured by a ferritscope. Vickers hardness (HV10) values were obtained. Intergranular and pitting corrosion tests were applied to determine the corrosion resistance of all welds. Type of the purging gas affected pitting corrosion properties as well as the ferrite content and nitrogen, oxygen and hydrogen contents at the roots of the welds. Any hot cracking problems are not predicted as the weld still solidifies with ferrite in the primary phase as confirmed by microstructural and ferrite content analysis. Mechanical testing showed no significant change according to the purge gas. AISI 321 steel and 347 consumable compositions would permit use of nitrogen rich gases for root shielding without a risk of hot cracking.

  2. Preconceptual design of the gas-phase decontamination demonstration cart

    Munday, E.B.

    1993-12-01

    Removal of uranium deposits from the interior surfaces of gaseous diffusion equipment will be a major portion of the overall multibillion dollar effort to decontaminate and decommission the gaseous diffusion plants. Long-term low-temperature (LTLT) gas-phase decontamination is being developed at the K-25 Site as an in situ decontamination process that is expected to significantly lower the decontamination costs, reduce worker exposure to radioactive materials, and reduce safeguard concerns. This report documents the preconceptual design of the process equipment that is necessary to conduct a full-scale demonstration of the LTLT method in accordance with the process steps listed above. The process equipment and method proposed in this report are not intended to represent a full-scale production campaign design and operation, since the gas evacuation, gas charging, and off-gas handling systems that would be cost effective in a production campaign are not cost effective for a first-time demonstration. However, the design presented here is expected to be applicable to special decontamination projects beyond the demonstration, which could include the Deposit Recovery Program. The equipment will therefore be sized to a 200 ft size 1 converter (plus a substantial conservative design margin), which is the largest item of interest for gas phase decontamination in the Deposit Recovery Program. The decontamination equipment will allow recovery of the UF 6 , which is generated from the reaction of ClF 3 with the uranium deposits, by use of NaF traps

  3. Gas-liquid two-phase flows in double inlet cyclones for natural gas separation

    Yang, Yan; Wang, Shuli; Wen, Chuang

    2017-01-01

    The gas-liquid two-phase flow within a double inlet cyclone for natural gasseparation was numerically simulated using the discrete phase model. The numericalapproach was validated with the experimental data, and the comparison resultsagreed well with each other. The simulation results showed...... that the strong swirlingflow produced a high centrifugal force to remove the particles from the gas mixture.The larger particles moved downward on the internal surface and were removeddue to the outer vortex near the wall. Most of the tiny particles went into the innervortex zones and escaped from the up...

  4. ICR studies of some anionic gas phase reactions and FTICR software design

    Noest, A.J.

    1983-01-01

    This thesis consists of two parts. Part one (Chs. 1-5) reports experimental results from mostly drift-cell ICR studies of negative ion-molecule reactions; part two (Chs. 6-11) concerns the design of software for an FTICR instrument. The author discusses successively: 1. ion cyclotron resonance spectrometry; 2. the gas phase allyl anion; 3. the (M-H) and (M-H2) anions from acetone; 4. negative ion-molecule reactions of aliphatic nitrites studied by cyclotron resonance; 5. homoconjugation versus charge-dipole interaction effects in the stabilization of carbanions in the gas phase; 6. the Fourier Transform ICR method; 7. the FTICR-software; 8. an efficient adaptive matcher filter for fast transient signals; 9. reduction of spectral peak height errors by time-domain weighing; 10. Chirp excitation; 11. Compact data storage. The book concludes with a Dutch and English summary (G.J.P.)

  5. Angular intensity of a gas-phase field ionization source

    Orloff, J.; Swanson, L.W.

    1979-01-01

    Angular intensities of 1 μA sr -1 have been measured for a gas-phase field ionization source in an optical column under practical operating conditions. The source, which was differentially pumped and cooled to 77 K, utilized a -oriented iridium emitter and precooled hydrogen gas at 10 -2 Torr. The ion beam was collimated with an electrostatic lens and detected below an aperture subtending 0.164 msr. A transmitted current of approx.10 -10 A was measured at voltages corresponding to a field of approx. =2.2 V/A at the emitter

  6. Noncovalent Halogen Bonding as a Mechanism for Gas-Phase Clustering

    Wegeberg, Christina; Donald, William A.; McKenzie, Christine

    2017-01-01

    in the crystalline phases of PhIO2 and its derivatives serve as models for the structures of larger gas-phase clusters, and calculations on simple model gas-phase dimer and trimer clusters result in similar motifs. This is the first account of halogen bonding playing an extensive role in gas-phase associations....

  7. Stabilization of electrohydrodynamic jets by gas discharges and applications to printing

    Korkut, Sibel

    From integrated circuits to DNA hybridization micro arrays, many areas of research require flexible and reliable, high resolution surface patterning tools. A new surface patterning technique, electrohydrodynamic printing (EHDP) [1] provides high resolution and speed at the same time, which was not attainable with the existing direct surface patterning techniques. Stability of electrohydrodynamic (EHD) jets determines the accuracy of deployment in EHD printing [1-3]; therefore, understanding non-axisymmetric instability of the jet, which is caused by the surface charges, is crucial to successful operation. In this thesis, fast imaging and image analysis techniques are used to determine non-axisymmetric disturbance growth rates experimentally. Comparison of experimental instability growth rates with the theoretical estimations based on total current reveals a big discrepancy. It is also found that instability growth rates decrease and stability of EHD filaments is enhanced either by decreasing the electrode separation or by changing the surrounding gas. After considering all possible mechanisms, it is concluded that the main reason for stabilization is the increased ionization of the surrounding gas. Gas ionization results in partial neutralization of surface charges on the filament by the oppositely charged ions in the gas phase and stabilizes the jet. A new current balance including the charge transfer through the gas is developed to estimate the charge density left on the filament. Experimental and theoretical instability growth rates agree much better when the estimated charge density is used for the instability growth rate calculations. The second part of the thesis focuses on pattern formation on the surfaces. The final pattern produced with a colloidal suspension by EHDP depends on not only the stability of the jet but also the dynamics of the suspension and the stability of printed lines after the deployment. Rivulet instability, which causes deployed

  8. Industrial aspects of gas-liquid two-phase flow

    Hewitt, G.F.

    1977-01-01

    The lecture begins by reviewing the various types of plant in which two phase flow occurs. Specifically, boiling plant, condensing plant and pipelines are reviewed, and the various two phase flow problems occurring in them are described. Of course, many other kinds of chemical engineering plant involve two phase flow, but are somewhat outside the scope of this lecture. This would include distillation columns, vapor-liquid separators, absorption towers etc. Other areas of industrial two phase flow which have been omitted for space reasons from this lecture are those concerned with gas/solids, liquid/solid and liquid/liquid flows. There then follows a description of some of the two phase flow processes which are relevant in industrial equipment and where special problems occur. The topics chosen are as follows: (1) pressure drop; (2) horizontal tubes - separation effects non-uniformites in heat transfer coefficient, effect of bends on dryout; (3) multicomponent mixtures - effects in pool boiling, mass transfer effects in condensation and Marangoni effects; (4) flow distribution - manifold problems in single phase flow, separation effects at a single T-junction in two phase flow and distribution in manifolds in two phase flow; (5) instability - oscillatory instability, special forms of instability in cryogenic systems; (6) nucleate boiling - effect of variability of surface, unresolved problems in forced convective nucleate boiling; and (7) shell side flows - flow patterns, cross flow boiling, condensation in cross flow

  9. Storage Stability and Improvement of Intermediate Moisture Foods, Phase 3

    Labuza, T. P.

    1975-01-01

    Methods were determined for the improvement of shelf-life stability of intermediate moisture foods (IMF). Microbial challenge studies showed that protection against molds and Staphylococcus aureus could be achieved by a combination of antimicrobial agents, humectants and food acids. Potassium sorbate and propylene glycol gave the best results. It was also confirmed that the maximum in heat resistance shown by vegetative pathogens at intermediate water activities also occurred in a solid food. Glycols and sorbitol both achieve browning inhibition because of their action as a medium for reaction and effect on viscosity of the adsorbed phase. Chemical availability results showed rapid lysine loss before visual discoloration occurred. This is being confirmed with a biological test using Tetrahymena pyriformis W. Accelerated temperature tests show that effectiveness of food antioxidants against rancidity development can be predicted; however, the protection factor changes with temperature. BHA was found to be the best antioxidant for iron catalyzed oxidation.

  10. Magnetically induced crystal structure and phase stability in Fe1-cCoc

    Abrikosov, I.A.; James, P.; Eriksson, O.

    1996-01-01

    We present an ab initio determination of the crystallographic phase stability of Fe-Co alloys as a function of concentration, using the coherent potential approximation. A bcc --> hcp phase transition is found at a concentration of 85 at.% of Co, in good agreement with the experimental phase...... diagram. We demonstrate that for the Pe-rich random alloys magnetism-stabilizes the bce phase relative to the close-packed fee and hcp phases. Magnetism also favors the partially ordered alpha' phase relative to the random bce alloy. This unique relation between magnetism and phase stability for the Fe...

  11. Preconcentration in gas or liquid phases using adsorbent thin films

    Antonio Pereira Nascimento Filho

    2006-03-01

    Full Text Available The possibility of preconcentration on microchannels for organic compounds in gas or liquid phases was evaluated. Microstructures with different geometries were mechanically machined using poly(methyl methacrylate - PMMA as substrates and some cavities were covered with cellulose. The surfaces of the microchannels were modified by plasma deposition of hydrophilic or hydrophobic films using 2-propanol and hexamethyldisilazane (HMDS, respectively. Double layers of HMDS + 2-propanol were also used. Adsorption characterization was made by Quartz Crystal Measurements (QCM technique using reactants in a large polarity range that showed the adsorption ability of the structures depends more on the films used than on the capillary phenomena. Cellulose modified by double layer film showed a high retention capacity for all gaseous compounds tested. However, structures without plasma deposition showed low retention capacity. Microchannels modified with double layers or 2-propanol plasma films showed higher retention than non-modified ones on gas or liquid phase.

  12. Long-lived gas-phase radicals from combustion

    Kaneko, Takashi; Furusawa, Koji; Amano, Toshiji; Okubo, Yoichi; Tsuchiya, Jun' ichi; Yoshizawa, Fujiroku; Akutsu, Yoshiaki; Tamura, Masamitsu; Yoshida, Tadao (Univ. of Tokyo (Japan))

    1989-04-20

    On indoor air pollution or fire, it is feared that the gas-phase radicals from the combustion of inflammables or fuel seriously exert an influence on the organisms as harmful matter. The gas-phase radicals were studied using the electron spin resonance (ESR) spin-trapping technique. For the spin trap solution, 0.1 mol solution of {alpha}-phenyl-N-t-butylnitron in benzene was used. As a result, apparently long-lived and highly reactive oxygen-centered radicals were detected in the smoke from polyethylene, polypropylene, polystyrene, polymethylmethacrylate, cellulose, kerosene, benzene, acetone, methanol and butylalcohol. It is suggested that the production mechanism for the radicals should be different from olefin-NOx-air system reaction, which is considered for the radicals from cigarette smoke. 11 refs., 6 figs., 2 tabs.

  13. Gas phase fractionation method using porous ceramic membrane

    Peterson, Reid A.; Hill, Jr., Charles G.; Anderson, Marc A.

    1996-01-01

    Flaw-free porous ceramic membranes fabricated from metal sols and coated onto a porous support are advantageously used in gas phase fractionation methods. Mean pore diameters of less than 40 .ANG., preferably 5-20 .ANG. and most preferably about 15 .ANG., are permeable at lower pressures than existing membranes. Condensation of gases in small pores and non-Knudsen membrane transport mechanisms are employed to facilitate and increase membrane permeability and permselectivity.

  14. Gas Phase Hydrogenation of Levulinic Acid to gamma-Valerolactone

    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

  15. The gas chimney formation during the steam explosion premixing phase

    Leskovar, M.

    2001-01-01

    The crucial part in isothermal premixing experiment simulation is the correct prediction of the gas chimney, which forms when the spheres penetrate into water. The first simulation results with the developed original combined multiphase model showed that the gas chimney starts to close at the wrong place at the top of the chimney and not in the middle, like it was observed in the experiments. To find the physical explanation for this identified weakness of our numerical model a comprehensive parametric analysis (mesh size, initial water-air surface thickness, water density, momentum coupling starting position) has been performed. It was established that the reason for the unphysical gas chimney closing at the top could be the gradual air-water density transition in the experiment model, since there is due to the finite differences description always a transition layer with intermediate phases density over the pure water phase. It was shown that this difference between our numerical model and the experiment can be somewhat compensated if the spheres interfacial drag coefficient at the upmost mesh plane of the unphysical air-water transition layer is artificially risen. On this way a more correct gas chimney formation can be obtained.(author)

  16. Relativistic stability of interacting Fermi gas in a strong magnetic field

    Wang Lilin; Tian Jincheng; Men Fudian; Zhang Yipeng

    2013-01-01

    By means of the single particle energy spectrum of weak interaction between fermions and Poisson formula, the thermodynamic potential function of relativistic Fermi gas in a strong magnetic field is derived. Based on this, we obtained the criterion of stability for the system. The results show that the mechanics stability of a Fermi gas with weak interacting is influenced by the interacting. While the magnetic field is able to regulate the influence and the relativistic effect has almost no effect on it. (authors)

  17. The Influence of Mixing in High Temperature Gas Phase Reactions

    Østberg, Martin

    1996-01-01

    by injection of NH3 with carrier gas into the flue gas. NH3 can react with NO and form N2, but a competing reaction path is the oxidation of NH3 to NO.The SNR process is briefly described and it is shown by chemical kinetic modelling that OH radicals under the present conditions will initiate the reaction......The objective of this thesis is to describe the mixing in high temperature gas phase reactions.The Selective Non-Catalytic Reduction of NOx (referred as the SNR process) using NH3 as reductant was chosen as reaction system. This in-furnace denitrification process is made at around 1200 - 1300 K...... diffusion. The SNR process is simulated using the mixing model and an empirical kinetic model based on laboratory experiments.A bench scale reactor set-up has been built using a natural gas burner to provide the main reaction gas. The set-up has been used to perform an experimental investigation...

  18. Foams Stabilized with Nanoparticles for Gas Well Deliquification

    Knapik Ewa; Stopa Jerzy; Marzec Anna

    2014-01-01

    This study examined the interaction of solid nanoparticles and anionic and non-ionic surfactant at an air–water interface. Aqueous foams stabilized by silica nanoparticles in water with different levels of salinity were studied in detail. The stability of solid/surfactant dispersion was evaluated visually. Nanoparticles content impact and concentration of surfactant on the foamability, deliquification of foams and structure of wet foams were studied. It was found that the foamability of dispe...

  19. GAS PHASE SELECTIVE PHOTOXIDATION OF ALCOHOLS USING LIGHT-ACTIVATED TITANIUM DIOXIDE AND MOLECULAR OXYGEN

    Gas Phase Selective Oxidation of Alcohols Using Light-Activated Titanium Dioxide and Molecular Oxygen Gas phase selective oxidations of various primary and secondary alcohols are studied in an indigenously built stainless steel up-flow photochemical reactor using ultravi...

  20. Chlorination of some eliphatic organic compounds in liquid and gas phase

    Hassan, A.A.

    1990-01-01

    The photochlorination of different organic compounds and the relative slectivities of different positions have been investigated in both gaseous and liquid phases at different temperatures. The results have shown that the relative selectivity generally decreased with increasing temperature and in the gas phase has a higher value. Polar solvents increase the selectivity relative to the chlorination of pure liquid phases. The differences in activation energy between two positions were much higher in the gas phases chlorination, relative to that in the liquid phase. It was also found that the functional groups have great influence on the rate of chlorine free radical attack on different positions, for example the electron withdrawing groups decreasing the selectivity on the first position, but the electron donating groups increase the selectivity on the first position, but the electron donating groups increase the selectivity on the first position. Furthermore it was found that the polar solvents, which stabilize the resonance between oxygen and carbon atoms, increases the selectivity on that position. 23 tabs.; 16 figs.; 50 refs

  1. Two-Phase Phenomena In Wet Flue Gas Desulfurization Process

    Minzer, U.; Moses, E.J.; Toren, M.; Blumenfeld, Y.

    1998-01-01

    In order to reduce sulfur oxides discharge, Israel Electric Corporation (IEC) is building a wet Flue Gas Desulfurization (FGD) facility at Rutenberg B power station. The primary objective of IEC is to minimize the occurrence of stack liquid discharge and avoid the discharge of large droplets, in order to prevent acid rain around the stack. Liquid discharge from the stack is the integrated outcome of two-phase processes, which are discussed in this work. In order to estimate droplets discharge the present investigation employs analytical models, empirical tests, and numerical calculations of two-phase phenomena. The two-phase phenomena are coupled and therefore cannot be investigated separately. The present work concerns the application of Computational Fluid Dynamic (CFD) as an engineering complementary tool in the IEC investigation

  2. FLUIDDYNAMIC ASPECTS OF GAS-PHASE ETHYLENE POLYMERIZATION REACTOR DESIGN

    Guardani R.

    1998-01-01

    Full Text Available The relative importance of design variables affecting the fluiddynamic behavior of a fluidized bed reactor for the gas-phase ethylene polymerization is discussed, based on mathematical modeling. The three-phase bubbling fluidized bed model is based on axially distributed properties for the bubble, cloud and emulsion phases, combined with correlations for population balance and entrainment. Under the operating conditions adopted in most industrial processes, the reactor performance is affected mainly by the reaction rate and solids entrainment. Simulation results indicate that an adequate design of the freeboard and particle collecting equipment is of primary importance in order to produce polymeric particles with the desired size distribution, as well as to keep entrainment and catalyst feed rates at adequate levels.

  3. Fundamental thermochemical properties of amino acids: gas-phase and aqueous acidities and gas-phase heats of formation.

    Stover, Michele L; Jackson, Virgil E; Matus, Myrna H; Adams, Margaret A; Cassady, Carolyn J; Dixon, David A

    2012-03-08

    The gas-phase acidities of the 20 L-amino acids have been predicted at the composite G3(MP2) level. A broad range of structures of the neutral and anion were studied to determine the lowest energy conformer. Excellent agreement is found with the available experimental gas-phase deprotonation enthalpies, and the calculated values are within experimental error. We predict that tyrosine is deprotonated at the CO(2)H site. Cysteine is predicted to be deprotonated at the SH but the proton on the CO(2)H is shared with the S(-) site. Self-consistent reaction field (SCRF) calculations with the COSMO parametrization were used to predict the pK(a)'s of the non-zwitterion form in aqueous solution. The differences in the non-zwitterion pK(a) values were used to estimate the free energy difference between the zwitterion and nonzwitterion forms in solution. The heats of formation of the neutral compounds were calculated from atomization energies and isodesmic reactions to provide the first reliable set of these values in the gas phase. Further calculations were performed on five rare amino acids to predict their heats of formation, acidities, and pK(a) values.

  4. Statistical parameter characteristics of gas-phase fluctuations for gas-liquid intermittent flow

    Matsui, G.; Monji, H.; Takaguchi, M. [Univ. of Tsukuba (Japan)

    1995-09-01

    This study deals with theoretical analysis on the general behaviour of statistical parameters of gas-phase fluctuations and comparison of statistical parameter characteristics for the real void fraction fluctuations measured with those for the wave form modified the real fluctuations. In order to investigate the details of the relation between the behavior of the statistical parameters in real intermittent flow and analytical results obtained from information on the real flow, the distributions of statistical parameters for general fundamental wave form of gas-phase fluctuations are discussed in detail. By modifying the real gas-phase fluctuations to a trapezoidaly wave, the experimental results can be directly compared with the analytical results. The analytical results for intermittent flow show that the wave form parameter, and the total amplitude of void fraction fluctuations, affects strongly on the statistical parameter characteristics. The comparison with experiment using nitrogen gas-water intermittent flow suggests that the parameters of skewness and excess may be better as indicators of flow pattern. That is, the macroscopic nature of intermittent flow can be grasped by the skewness and the excess, and the detailed flow structure may be described by the mean and the standard deviation.

  5. Statistical parameter characteristics of gas-phase fluctuations for gas-liquid intermittent flow

    Matsui, G.; Monji, H.; Takaguchi, M.

    1995-01-01

    This study deals with theoretical analysis on the general behaviour of statistical parameters of gas-phase fluctuations and comparison of statistical parameter characteristics for the real void fraction fluctuations measured with those for the wave form modified the real fluctuations. In order to investigate the details of the relation between the behavior of the statistical parameters in real intermittent flow and analytical results obtained from information on the real flow, the distributions of statistical parameters for general fundamental wave form of gas-phase fluctuations are discussed in detail. By modifying the real gas-phase fluctuations to a trapezoidaly wave, the experimental results can be directly compared with the analytical results. The analytical results for intermittent flow show that the wave form parameter, and the total amplitude of void fraction fluctuations, affects strongly on the statistical parameter characteristics. The comparison with experiment using nitrogen gas-water intermittent flow suggests that the parameters of skewness and excess may be better as indicators of flow pattern. That is, the macroscopic nature of intermittent flow can be grasped by the skewness and the excess, and the detailed flow structure may be described by the mean and the standard deviation

  6. Energy Demodulation Algorithm for Flow Velocity Measurement of Oil-Gas-Water Three-Phase Flow

    Yingwei Li

    2014-01-01

    Full Text Available Flow velocity measurement was an important research of oil-gas-water three-phase flow parameter measurements. In order to satisfy the increasing demands for flow detection technology, the paper presented a gas-liquid phase flow velocity measurement method which was based on energy demodulation algorithm combing with time delay estimation technology. First, a gas-liquid phase separation method of oil-gas-water three-phase flow based on energy demodulation algorithm and blind signal separation technology was proposed. The separation of oil-gas-water three-phase signals which were sampled by conductance sensor performed well, so the gas-phase signal and the liquid-phase signal were obtained. Second, we used the time delay estimation technology to get the delay time of gas-phase signals and liquid-phase signals, respectively, and the gas-phase velocity and the liquid-phase velocity were derived. At last, the experiment was performed at oil-gas-water three-phase flow loop, and the results indicated that the measurement errors met the need of velocity measurement. So it provided a feasible method for gas-liquid phase velocity measurement of the oil-gas-water three-phase flow.

  7. Non Lyapunov stability of the constant spatially developing 1-D gas flow in presence of solutions having strictly positive exponential growth rate

    Balint, Stefan; Balint, Agneta M.

    2017-01-01

    Different types of stabilities (global, local) and instabilities (global absolute, local convective) of the constant spatially developing 1-D gas flow are analyzed in the phase space of continuously differentiable functions, endowed with the usual algebraic operations and the topology generated by the uniform convergence on the real axis. For this purpose the Euler equations linearized at the constant flow are used. The Lyapunov stability analysis was presented in [1] and this paper is a continuation of [1].

  8. Spectral analysis and quantum chemical studies of chair and twist-boat conformers of cycloheximide in gas and solution phases

    Tokatli, A.; Ucun, F.; Sütçü, K.; Osmanoğlu, Y. E.; Osmanoğlu, Ş.

    2018-02-01

    In this study the conformational behavior of cycloheximide in the gas and solution (CHCl3) phases has theoretically been investigated by spectroscopic and quantum chemical properties using density functional theory (wB97X-D) method with 6-31++G(d,p) basis set, for the first time. The calculated IR results reveal that in the ground state the molecule exits as a mixture of the chair and twist-boat conformers in the gas phase, while the calculated NMR results reveal that it only exits as the chair conformer in the solution phase. In order to obtain the contributions coming from intramolecular interactions to the stability of the conformers in the gas and solution phases, the quantum theory of atoms in molecules (QTAIM), noncovalent interactions (NCI) method, and natural bond orbital analysis (NBO) have been employed. The QTAIM and NCI methods indicated that by intramolecular interactions with bond critical point (BCP) the twist-boat conformer is more stabilized than the chair conformer, while by steric interactions it is more destabilized. Considering that these interactions balance each other, the stabilities of the conformers are understood to be dictated by the van der Waals interactions. The NBO analyses show that the hyperconjugative and steric effects play an important role in the stabilization in the gas and solution phases. Furthermore, to get a better understanding of the chemical behavior of this important antibiotic drug we have evaluated and, commented the global and local reactivity descriptors of the both conformers. Finally, the EPR analysis of γ-irradiated cycloheximide has been done. The comparison of the experimental and calculated data have showed the inducement of a radical structure of (CH2)2ĊCH2 in the molecule. The experimental EPR spectrum has also confirmed that the molecule simultaneously exists in the chair and twist-boat conformers in the solid phase.

  9. Application of Arma Technique For Operation Stability of RSG-Gas

    Djudjuratisbela, Udju

    2000-01-01

    Application Of Arma Technique For Operation Stability Of RSG-Gas. Application of Fast Fourier Transport (FFT) method in the noise experiments data had been conducted to reactor kinetic parameter determination of RSG-Gas. Reactor stability that has closed relation to operation safety has not been measured yet. Noise analysis method and ARMA (Auto Regressive Moving Average) technique that has capability to identify mathematical model of the noise experimental data can be used for determination of kinetic/dynamic characteristic equation and its roots. From the roots of reactor characteristic equation, magnitude of natural frequency (fn), damping ratio (xi), damping frequency (fd), decay ratio (delta) and then reactor stability can be calculated

  10. Thermal phase stability of some simulated Defense waste glasses

    May, R.P.

    1981-04-01

    Three simulated defense waste glass compositions developed by Savannah River Laboratories were studied to determine viscosity and compositional effects on the comparative thermal phase stabilities of these glasses. The glass compositions are similar except that the 411 glasses are high in lithium and low in sodium compared to the 211 glass, and the T glasses are high in iron and low in aluminum compared to the C glass. Specimens of these glasses were heat treated using isothermal anneals as short as 10 min and up to 15 days over the temperature range of 450 0 C to 1100 0 C. Additionally, a specimen of each glass was cooled at a constant cooling rate of 7 0 C/hour from an 1100 0 C melt down to 500 0 C where it was removed from the furnace. The following were observed. The slow cooling rate of 7 0 C/hour is possible as a canister centerline cooling rate for large canisters. Accordingly, it is important to note that a short range diffusion mechanism like cooperative growth phenomena can result in extensive devitrification at lower temperatures and higher yields than a long-range diffusion mechanism can; and can do it without the growth of large crystals that can fracture the glass. Refractory oxides like CeO 2 and (Ni, Mn, Fe) 2 O 4 form very rapidly at higher temperatures than silicates and significant yields can be obtained at sufficiently high temperatures that settling of these dense phases becomes a major microstructural feature during slow cooling of some glasses. These annealing studies further show that below 500 0 C there is but little devitrification occurring implying that glass canisters stored at 300 0 C may be kinetically stable despite not being thermodynamically so

  11. Thermal phase stability of some simulated Defense waste glasses

    May, R.P.

    1981-04-01

    Three simulated defense waste glass compositions developed by Savannah River Laboratories were studied to determine viscosity and compositional effects on the comparative thermal phase stabilities of these glasses. The glass compositions are similar except that the 411 glasses are high in lithium and low in sodium compared to the 211 glass, and the T glasses are high in iron and low in aluminum compared to the C glass. Specimens of these glasses were heat treated using isothermal anneals as short as 10 min and up to 15 days over the temperature range of 450/sup 0/C to 1100/sup 0/C. Additionally, a specimen of each glass was cooled at a constant cooling rate of 7/sup 0/C/hour from an 1100/sup 0/C melt down to 500/sup 0/C where it was removed from the furnace. The following were observed. The slow cooling rate of 7/sup 0/C/hour is possible as a canister centerline cooling rate for large canisters. Accordingly, it is important to note that a short range diffusion mechanism like cooperative growth phenomena can result in extensive devitrification at lower temperatures and higher yields than a long-range diffusion mechanism can; and can do it without the growth of large crystals that can fracture the glass. Refractory oxides like CeO/sub 2/ and (Ni, Mn, Fe)/sub 2/O/sub 4/ form very rapidly at higher temperatures than silicates and significant yields can be obtained at sufficiently high temperatures that settling of these dense phases becomes a major microstructural feature during slow cooling of some glasses. These annealing studies further show that below 500/sup 0/C there is but little devitrification occurring implying that glass canisters stored at 300/sup 0/C may be kinetically stable despite not being thermodynamically so.

  12. Thermal stability and phase transformation in fully indium oxide (InO{sub 1.5}) stabilized zirconia

    Piva, R.H., E-mail: honorato.piva@ua.pt; Piva, D.H.; Morelli, M.R.

    2017-01-15

    Indium oxide (InO{sub 1.5}) stabilized zirconia (InSZ) is an attractive material as electrolyte, or electrode, in solid oxide fuel cells (SOFCs), and as corrosion resistant top coat in thermal barrier coatings. However, little is known about the phase stability of cubic InSZ at temperatures that simulate the conditions in an operating SOFC or turbine. This article provides an investigation of the phase stability and phase transformations in cubic InSZ after heat treatments at 800, 1000, and 1200 °C for periods up to 2000 h. The results revealed that cubic InSZ is not stable during annealing at 1000 and 1200 °C, owing to a fast destabilization of the initial cubic phase to tetragonal, and eventually to monoclinic (c → t → m). The c → t → m transition in InSZ is intimately associated with the indium volatilization. On the other hand, cubic InSZ remained stable for 2000 h at 800 °C, although the partial formation of the tetragonal phase was observed along with a 0.25% contraction in the unit cell volume of the cubic phase, caused by short-range ordering. These results demonstrate that technological applications of cubic InSZ are restricted to temperatures at which the volatilization of the InO{sub 1.5} stabilizer does not occur. - Highlights: •Phase stability of fully InO{sub 1.5} stabilized zirconia (cubic InSZ) was evaluated. •Cubic InSZ is instable at temperatures ≥ 1000 °C, owing to the cubic-to-tetragonal-to-monoclinic destabilization. •Cubic InSZ undergoes the cubic-to-tetragonal transformation at ~ 800 °C. •Owing to the low phase stability, applications of cubic InSZ in TBCs or SOFCs are restricted.

  13. Phase Stability and Elasticity of TiAlN

    Magnus Odén

    2011-09-01

    Full Text Available We review results of recent combined theoretical and experimental studies of Ti1−xAlxN, an archetypical alloy system material for hard-coating applications. Theoretical simulations of lattice parameters, mixing enthalpies, and elastic properties are presented. Calculated phase diagrams at ambient pressure, as well as at pressure of 10 GPa, show a wide miscibility gap and broad region of compositions and temperatures where the spinodal decomposition takes place. The strong dependence of the elastic properties and sound wave anisotropy on the Al-content offers detailed understanding of the spinodal decomposition and age hardening in Ti1−xAlxN alloy films and multilayers. TiAlN/TiN multilayers can further improve the hardness and thermal stability compared to TiAlN since they offer means to influence the kinetics of the favorable spinodal decomposition and suppress the detrimental transformation to w-AlN. Here, we show that a 100 degree improvement in terms of w-AlN suppression can be achieved, which is of importance when the coating is used as a protective coating on metal cutting inserts.

  14. Gas phase chromatography of halides of elements 104 and 105

    Tuerler, A.; Gregorich, K.E.; Czerwinski, K.R.; Hannink, N.J.; Henderson, R.A.; Hoffman, D.C.; Kacher, C.D.; Kadkhodayan, B.; Kreek, S.A.; Lee, D.M.; Leyba, J.D.; Nurmia, M.J.; Gaeggeler, H.W.; Jost, D.T.; Kovacs, J.; Scherer, U.W.; Vermeulen, D.; Weber, A.; Barth, H.; Gober, M.K.; Kratz, J.V.; Bruechle, W.; Schaedel, M.; Schimpf, E.; Gober, M.K.; Kratz, J.V.; Zimmermann, H.P.

    1991-04-01

    On-line isothermal gas phase chromatography was used to study halides of 261 104 (T 1/2 = 65 s) and 262,263 105 (T 1/2 = 34 s and 27 s) produced an atom-at-a time via the reactions 248 Cm( 18 O, 5n) and 249 Bk( 18 O, 5n, 4n), respectively. Using HBr and HCl gas as halogenating agents, we were able to produce volatile bromides and chlorides of the above mentioned elements and study their behavior compared to their lighter homologs in Groups 4 or 5 of the periodic table. Element 104 formed more volatile bromides than its homolog Hf. In contrast, element 105 bromides were found to be less volatile than the bromides of the group 5 elements Nb and Ta. Both 104 and Hf chlorides were observed to be more volatile than their respective bromides. 31 refs., 8 figs

  15. Basin-Wide Temperature Constraints On Gas Hydrate Stability In The Gulf Of Mexico

    MacDonald, I. R.; Reagan, M. T.; Guinasso, N. L.; Garcia-Pineda, O. G.

    2012-12-01

    Gas hydrate deposits commonly occur at the seafloor-water interface on marine margins. They are especially prevalent in the Gulf of Mexico where they are associated with natural oil seeps. The stability of these deposits is potentially challenged by fluctuations in bottom water temperature, on an annual time-scale, and under the long-term influence of climate change. We mapped the locations of natural oil seeps where shallow gas hydrate deposits are known to occur across the entire Gulf of Mexico basin based on a comprehensive review of synthetic aperture radar (SAR) data (~200 images). We prepared a bottom water temperature map based on the archive of CTD casts from the Gulf (~6000 records). Comparing the distribution of gas hydrate deposits with predicted bottom water temperature, we find that a broad area of the upper slope lies above the theoretical stability horizon for structure 1 gas hydrate, while all sites where gas hydrate deposits occur are within the stability horizon for structure 2 gas hydrate. This is consistent with analytical results that structure 2 gas hydrates predominate on the upper slope (Klapp et al., 2010), where bottom water temperatures fluctuate over a 7 to 10 C range (approx. 600 m depth), while pure structure 1 hydrates are found at greater depths (approx. 3000 m). Where higher hydrocarbon gases are available, formation of structure 2 gas hydrate should significantly increase the resistance of shallow gas hydrate deposits to destabilizing effects variable or increasing bottom water temperature. Klapp, S.A., Bohrmann, G., Kuhs, W.F., Murshed, M.M., Pape, T., Klein, H., Techmer, K.S., Heeschen, K.U., and Abegg, F., 2010, Microstructures of structure I and II gas hydrates from the Gulf of Mexico: Marine and Petroleum Geology, v. 27, p. 116-125.Bottom temperature and pressure for Gulf of Mexico gas hydrate outcrops and stability horizons for sI and sII hydrate.

  16. Measurement of phase interaction in dispersed gas-particle two-phase flow by phase-doppler anemometry

    Mergheni Ali Mohamed

    2008-01-01

    Full Text Available For simultaneous measurement of size and velocity distributions of continuous and dispersed phases in a two-phase flow a technique phase-Doppler anemometry was used. Spherical glass particles with a particle diameter range from 102 up to 212 µm were used. In this two-phase flow an experimental results are presented which indicate a significant influence of the solid particles on the flow characteristics. The height of influence of these effects depends on the local position in the jet. Near the nozzle exit high gas velocity gradients exist and therefore high turbulence production in the shear layer of the jet is observed. Here the turbulence intensity in the two-phase jet is decreased compared to the single-phase jet. In the developed zone the velocity gradient in the shear layer is lower and the turbulence intensity reduction is higher. .

  17. Treatment of waste using a hybrid gas- water stabilized torch

    Van Oost, G.; Hrabovský, Milan; Kopecký, Vladimír; Konrád, Miloš; Hlína, Michal; Kavka, Tetyana; Beeckman, E.; Verstraeten, J.

    2005-01-01

    Roč. 5, č. 1 (2005), s. 7-12. ISBN 4-9900642-4-8 R&D Projects: GA ČR GA202/05/0669 Institutional research plan: CEZ:AV0Z20430508 Keywords : Thermal plasma * pyrolysis * waste treatment Subject RIV: BL - Plasma and Gas Discharge Physics

  18. Gas phase spectroscopic study of unstable molecules using FTIR technique

    Allaf, A.W.; Alibrahim, M.; Kassem, M.

    1998-01-01

    A new route has been developed, leading to the production of phosphorus (III) oxycyanide, OPCN and phosphorus (III) oxycyanate, OPOCN by an on-line process using phosphoryl chloride, POCL 3 as a starting material passed over heated silver at 870 Centigrade and then reacted with AgCN and KOCN heated at 270 Centigrade and 590 Centigrade to produce OPCN and OPOCN respectively. The gas phase fourier transform infrared spectra reported for the first time show the two characterized bonds of OPCN and OPOCN at 2165 cm -1 and 2130 cm -1 , assigned to the C≡N stretching fundamentals of OPCN and OPOCN respectively. (Author)

  19. Gas-phase spectroscopy of ferric heme-NO complexes

    Wyer, J.A.; Jørgensen, Anders; Pedersen, Bjarke

    2013-01-01

    and significantly blue-shifted compared to ferric heme nitrosyl proteins (maxima between 408 and 422 nm). This is in stark contrast to the Q-band absorption where the protein microenvironment is nearly innocent in perturbing the electronic structure of the porphyrin macrocycle. Photodissociation is primarily...... maxima of heme and its complexes with amino acids and NO. Not so innocent: Weakly bound complexes between ferric heme and NO were synthesised in the gas phase, and their absorption measured from photodissociation yields. Opposite absorption trends in the Soret-band are seen upon NO addition to heme ions...

  20. A preliminary study of thermo-mechanical stability of carbon S-phase formed in austenitic stainless steel

    Li, Wei; Chiu, Yu Long; Dong, Hanshan, E-mail: wsgddf@hotmail.com [School of Metallurgy and Materials, College of Physical and Engineering Sciences, The University of Birmingham, Birmingham (United Kingdom)

    2010-07-01

    Carbon S-phase was generated in the surface of AISI316 austenitic stainless steel by plasma carburising at 500°C for 10h in a gas mixture of 1.5%CH4 and 98.5%H{sub 2}. The thermo-mechanical stability of the carbon S-phase was studied by stressing the 'dog-bone' tensile specimens in the range of 0-200MPa at temperatures ranging from 400 to 500°C for 100-150h. Post-test characterisation was conducted using XRD, SEM, TEM and micro-indentation. The experimental results demonstrate that when tested at a fix temperature the thickness of the carbon S-phase layer increased with the stress applied to the tensile specimens during the thermo-mechanical stability tests. This indicates that tensile stress promotes the diffusion of carbon in the carbon-S-phase. When stressed at 400°C the microstructure of the carbon S-phase was not affected by the stress level; however, when stressed at 450 and 500°C for 100MPa or above, the corrosion resistance of the carbon S-phase slightly deteriorated. The application of a tensile stress during annealing of S-phase layer can retard the deduction of its hardness. This is believed to be related to the early stage precipitation of carbides in the S-phase, which could be facilitated by the applied tensile stress during thermal annealing. (author)

  1. Gas phase enthalpies of formation of nitrobenzamides using combustion calorimetry and thermal analysis

    Ximello, Arturo; Flores, Henoc; Rojas, Aarón; Adriana Camarillo, E.; Patricia Amador, M.

    2014-01-01

    Graphical abstract: - Highlights: • Formation enthalpies of the nitrobenzamides were derived from combustion calorimetry. • Enthalpies of vaporisation and sublimation were calculated by thermogravimetry. • From gas phase enthalpies of formation the stability of the isomers is studied. • Stability of isomers is not driven by a steric hindrance between functional groups. - Abstract: The standard molar energies of combustion of 2-nitrobenzamide, 3-nitrobenzamide and 4-nitrobenzamide were determined with an isoperibolic, static-bomb, combustion calorimeter. From the combustion results, the standard molar enthalpies of combustion and formation for these compounds in the condensed phase at T = 298.15 K were derived. Subsequently, to determine the enthalpies of sublimation, the vapour pressure data as a function of the temperature for the compounds under investigation were estimated using thermogravimetry by applying Langmuir’s equation, and the enthalpies of vaporisation were derived. Standard enthalpies of fusion were measured by differential scanning calorimetry then added to those of vaporisation to obtain reliable results for the enthalpy of sublimation. From the combustion and sublimation data, the gas phase enthalpies of formation were determined to be (−138.9 ± 3.5) kJ · mol −1 , (−122.9 ± 2.9) kJ · mol −1 and (−108.5 ± 3.7) kJ · mol −1 for the ortho, meta and para isomers of nitrobenzamide, respectively. The meaning of these results with regard to the enthalpic stability of these molecular structures is discussed herein

  2. Raman study of vibrational dynamics of aminopropylsilanetriol in gas phase

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

    2014-01-01

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

  3. Study of two-phase underexpanded jets by gas jet

    Uchida, Mitsunori; Someya, Satoshi; Okamoto, Koji

    2008-01-01

    When a heat exchange in a Fast Breeder Reactor cracks, a sodium-water reaction occurs. When a tube cracks, highly pressurized water or steam escapes into the surrounding liquid sodium and a sodium-water reaction occurs forming the disodium oxide. The disodium oxide caught in the steam jet strikes other tubes in the reactor. The struck disodium oxide can then cause these tubes to crack. The release of steam into the liquid sodium media is a two-phase flow involving underexpansion. In this paper qualitative measurement of the underexpanded gas jet which injected into water was carried our for the purpose of analyzing the behavior of the two-phase flow. (author)

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

    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

  5. Fixing arsenic contained in a gas phase using solid hematite

    Balladares, E.; Gonzalez, A.; Rarra, R.; Sanchez, M.

    2004-01-01

    Feasibility to obtain ferric arsenate starting from arsenic containing gas in contact with Fe 3 O 3 has been studied. Thermodynamic stability of the system Fe-As-O was analysed in order to verify conditions to form Fe x As y O z type compounds. Experiments were made using a hematite sample suspended in a thermogravimetric device. As 4 O 6 was generated starting from solid As 2 O 3 which was circulating through the iron oxide. Final samples were analysed chemically and by means of DRX, verifying the formation of FeAsO 4 , FeAsO 4 .2h 2 O and FeAsO 4 .(H 2 O) 2 in small quantities. Tests in porous bed and pellets were carried out, studying the effect of: porosity, temperature and oxygen potential. The largest conversion obtained was 10% at 800 degree centigrade, pO 2 =50% and porosity=0.883. (Author) 9 refs

  6. The principle of phase stability and the accelerator program at Berkeley, 1945--1954

    Lofgren, E.J.

    1994-07-01

    The discovery of the Principle of Phase Stability by Vladimir Veksler and Edwin McMillian and the end of the war released a surge of accelerator activity at the Lawrence Berkeley Laboratory (then The University of California Radiation Laboratory). Six accelerators incorporating the Principle of Phase Stability were built in the period 1945--1954

  7. Improvements in X-band transmitter phase stability through Klystron body temperature regulation

    Perez, R. M.

    1992-01-01

    This article describes the techniques used and experimental results obtained in improving transmitter stability by control of the klystron body temperature. Related work in the measurement of klystron phase control parameters (pushing factors) is also discussed. The contribution of wave guide temperature excursions to uplink phase stability is presented. Suggestions are made as to the direction of future work in this area.

  8. Phase stability and elastic properties of Cr-V alloys

    Gao, M. C.; Suzuki, Y.; Schweiger, H.; Doǧan, Ö. N.; Hawk, J.; Widom, M.

    2013-02-01

    V is the only element in the periodic table that forms a complete solid solution with Cr and thus is particularly important in alloying strategy to ductilize Cr. This study combines first-principles density functional theory calculations and experiments to investigate the phase stability and elastic properties of Cr-V binary alloys. The cluster expansion study reveals the formation of various ordered compounds at low temperatures that were not previously known. These compounds become unstable due to the configurational entropy of bcc solid solution as the temperature is increased. The elastic constants of ordered and disordered compounds are calculated at both T = 0 K and finite temperatures. The overall trends in elastic properties are in agreement with measurements using the resonant ultrasound spectroscopy method. The calculations predict that addition of V to Cr decreases both the bulk modulus and the shear modulus, and enhances the Poisson’s ratio, in agreement with experiments. Decrease in the bulk modulus is correlated to decrease in the valence electron density and increase in the lattice constant. An enhanced Poisson’s ratio for bcc Cr-V alloys (compared to pure Cr) is associated with an increased density of states at the Fermi level. Furthermore, the difference charge density in the bonding region in the (110) slip plane is highest for pure Cr and decreases gradually as V is added. The present calculation also predicts a negative Cauchy pressure for pure Cr, and it becomes positive upon alloying with V. The intrinsic ductilizing effect from V may contribute, at least partially, to the experimentally observed ductilizing phenomenon in the literature.

  9. Phase stability and elastic properties of Cr-V alloys

    Gao, M C; Suzuki, Y; Schweiger, H; Doğan, Ö N; Hawk, J; Widom, M

    2013-01-23

    V is the only element in the periodic table that forms a complete solid solution with Cr and thus is particularly important in alloying strategy to ductilize Cr. This study combines first-principles density functional theory calculations and experiments to investigate the phase stability and elastic properties of Cr–V binary alloys. The cluster expansion study reveals the formation of various ordered compounds at low temperatures that were not previously known. These compounds become unstable due to the configurational entropy of bcc solid solution as the temperature is increased. The elastic constants of ordered and disordered compounds are calculated at both T = 0 K and finite temperatures. The overall trends in elastic properties are in agreement with measurements using the resonant ultrasound spectroscopy method. The calculations predict that addition of V to Cr decreases both the bulk modulus and the shear modulus, and enhances the Poisson’s ratio, in agreement with experiments. Decrease in the bulk modulus is correlated to decrease in the valence electron density and increase in the lattice constant. An enhanced Poisson’s ratio for bcc Cr–V alloys (compared to pure Cr) is associated with an increased density of states at the Fermi level. Furthermore, the difference charge density in the bonding region in the (110) slip plane is highest for pure Cr and decreases gradually as V is added. The present calculation also predicts a negative Cauchy pressure for pure Cr, and it becomes positive upon alloying with V. The intrinsic ductilizing effect from V may contribute, at least partially, to the experimentally observed ductilizing phenomenon in the literature.

  10. Gas phase absorption studies of photoactive yellow protein chromophore derivatives.

    Rocha-Rinza, Toms; Christiansen, Ove; Rajput, Jyoti; Gopalan, Aravind; Rahbek, Dennis B; Andersen, Lars H; Bochenkova, Anastasia V; Granovsky, Alexander A; Bravaya, Ksenia B; Nemukhin, Alexander V; Christiansen, Kasper Lincke; Nielsen, Mogens Brøndsted

    2009-08-27

    Photoabsorption spectra of deprotonated trans p-coumaric acid and two of its methyl substituted derivatives have been studied in gas phase both experimentally and theoretically. We have focused on the spectroscopic effect of the location of the two possible deprotonation sites on the trans p-coumaric acid which originate to either a phenoxide or a carboxylate. Surprisingly, the three chromophores were found to have the same absorption maximum at 430 nm, in spite of having different deprotonation positions. However, the absorption of the chromophore in polar solution is substantially different for the distinct deprotonation locations. We also report on the time scales and pathways of relaxation after photoexcitation for the three photoactive yellow protein chromophore derivatives. As a result of these experiments, we could detect the phenoxide isomer within the deprotonated trans p-coumaric acid in gas phase; however, the occurrence of the carboxylate is uncertain. Several computational methods were used simultaneously to provide insights and assistance in the interpretation of our experimental results. The calculated excitation energies S(0)-S(1) are in good agreement with experiment for those systems having a negative charge on a phenoxide moiety. Although our augmented multiconfigurational quasidegenerate perturbation theory calculations agree with experiment in the description of the absorption spectrum of anions with a carboxylate functional group, there are some puzzling disagreements between experiment and some calculational methods in the description of these systems.

  11. Effect of citronella essential oil fractions as oil phase on emulsion stability

    Septiyanti, Melati; Meliana, Yenny; Agustian, Egi

    2017-11-01

    The emulsion system consists of water, oil and surfactant. In order to create stable emulsion system, the composition and formulation between water phase, surfactant and oil phase are very important. Essential oil such as citronella oil has been known as active ingredient which has ability as insect repellent. This research studied the effect of citronella oil and its fraction as oil phase on emulsion stability. The cycle stability test was conducted to check the emulsion stability and it was monitored by pH, density, viscosity, particle size, refractive index, zeta potential, physical appearance and FTIR for 4 weeks. Citronellal fraction has better stability compared to citronella oil and rhodinol fraction with slight change of physical and chemical properties before and after the cycle stability test. However, it is need further study to enhance the stability of the emulsion stability for this formulation.

  12. A Gimbal-Stabilized Compact Hyperspectral Imaging System, Phase II

    National Aeronautics and Space Administration — The Gimbal-stabilized Compact Hyperspectral Imaging System (GCHIS) fully integrates multi-sensor spectral imaging, stereovision, GPS and inertial measurement,...

  13. Surfactants from the gas phase may promote cloud droplet formation.

    Sareen, Neha; Schwier, Allison N; Lathem, Terry L; Nenes, Athanasios; McNeill, V Faye

    2013-02-19

    Clouds, a key component of the climate system, form when water vapor condenses upon atmospheric particulates termed cloud condensation nuclei (CCN). Variations in CCN concentrations can profoundly impact cloud properties, with important effects on local and global climate. Organic matter constitutes a significant fraction of tropospheric aerosol mass, and can influence CCN activity by depressing surface tension, contributing solute, and influencing droplet activation kinetics by forming a barrier to water uptake. We present direct evidence that two ubiquitous atmospheric trace gases, methylglyoxal (MG) and acetaldehyde, known to be surface-active, can enhance aerosol CCN activity upon uptake. This effect is demonstrated by exposing acidified ammonium sulfate particles to 250 parts per billion (ppb) or 8 ppb gas-phase MG and/or acetaldehyde in an aerosol reaction chamber for up to 5 h. For the more atmospherically relevant experiments, i.e., the 8-ppb organic precursor concentrations, significant enhancements in CCN activity, up to 7.5% reduction in critical dry diameter for activation, are observed over a timescale of hours, without any detectable limitation in activation kinetics. This reduction in critical diameter enhances the apparent particle hygroscopicity up to 26%, which for ambient aerosol would lead to cloud droplet number concentration increases of 8-10% on average. The observed enhancements exceed what would be expected based on Köhler theory and bulk properties. Therefore, the effect may be attributed to the adsorption of MG and acetaldehyde to the gas-aerosol interface, leading to surface tension depression of the aerosol. We conclude that gas-phase surfactants may enhance CCN activity in the atmosphere.

  14. Stability conditions and phase diagrams for two-component Fermi gases with population imbalance

    Chen Qijin; He Yan; Chien, C.-C.; Levin, K.

    2006-01-01

    Superfluidity in atomic Fermi gases with population imbalance has recently become an exciting research focus. There is considerable disagreement in the literature about the appropriate stability conditions for states in the phase diagram throughout the BCS to Bose-Einstein condensation crossover. Here we discuss these stability conditions for homogeneous polarized superfluid phases, and compare with recent alternative proposals. The requirement of a positive second-order partial derivative of the thermodynamic potential with respect to the fermionic excitation gap Δ (at fixed chemical potentials) is demonstrated to be equivalent to the positive definiteness of the particle number susceptibility matrix. In addition, we show the positivity of the effective pair mass constitutes another nontrivial stability condition. These conditions determine the (local) stability of the system towards phase separation (or other ordered phases). We also study systematically the effects of finite temperature and the related pseudogap on the phase diagrams defined by our stability conditions

  15. BSRs Elevated by Fluid Upwelling on the Upper Amazon Fan : Bottom-up Controls on Gas Hydrate Stability

    Praeg, D.; Silva, C. G.; dos Reis, A. T.; Ketzer, J. M.; Unnithan, V.; Perovano Da Silva, R. J.; Cruz, A. M.; Gorini, C.

    2017-12-01

    The stability of natural gas hydrate accumulations on continental margins has mainly been considered in terms of changes in seawater pressures and temperatures driven from above by climate. We present evidence from the Amazon deep-sea fan for stability zone changes driven from below by fluid upwelling. A grid of 2D and 3D multichannel seismic data show the upper Amazon fan in water depths of 1200-2000 m to contain a discontinuous bottom-simulating seismic reflection (BSR) that forms `patches' 10-50 km wide and up to 140 km long, over a total area of at least 5000 km2. The elongate BSR patches coincide with anticlinal thrust-folds that record on-going gravitational collapse of the fan above décollements at depths of up to 10 km. The BSR lies within 100-300 m of seafloor, in places rising beneath features that seafloor imagery show to be pockmarks and mud volcanoes, some venting gas to the water column. The BSR patches are up to 500 m shallower than predicted for methane hydrate based on geothermal gradients as low as 17˚C/km measured within the upper fan, and inversion of the BSR to obtain temperatures at the phase boundary indicates gradients 2-5 times background levels. We interpret the strongly elevated BSR patches to record upwelling of warm gas-rich fluids through thrust-fault zones 101 km wide. We infer this process to favour gas hydrate occurrences that are concentrated in proportion to flux and locally pierced by vents, and that will be sensitive to temporal variations in the upward flux of heat and gas. Thus episodes of increased flux, e.g. during thrusting, could dissociate gas hydrates to trigger slope failures and/or enhanced gas venting to the ocean. Structurally-driven fluid flow episodes could account for evidence of recurrent large-scale failures from the compressive belt on the upper fan during its Neogene collapse, and provide a long-term alternative to sea level triggering. The proposed mechanism of upward flux links the distribution and

  16. Approximate entropy—a new statistic to quantify arc and welding process stability in short-circuiting gas metal arc welding

    Cao Biao; Xiang Yuanpeng; Lü Xiaoqing; Zeng Min; Huang Shisheng

    2008-01-01

    Based on the phase state reconstruction of welding current in short-circuiting gas metal arc welding using carbon dioxide as shielding gas, the approximate entropy of welding current as well as its standard deviation has been calculated and analysed to investigate their relation with the stability of electric arc and welding process. The extensive experimental and calculated results show that the approximate entropy of welding current is significantly and positively correlated with arc and welding process stability, whereas its standard deviation is correlated with them negatively. A larger approximate entropy and a smaller standard deviation imply a more stable arc and welding process, and vice versa. As a result, the approximate entropy of welding current promises well in assessing and quantifying the stability of electric arc and welding process in short-circuiting gas metal arc welding

  17. Land application uses for dry flue gas desulfurization by-products: Phase 3

    Dick, W.; Bigham, J.; Forster, R.; Hitzhusen, F.; Lal, R.; Stehouwer, R.; Traina, S.; Wolfe, W.; Haefner, R.; Rowe, G.

    1999-01-31

    New flue gas desulfurization (FGD) scrubbing technologies create a dry, solid by-product material consisting of excess sorbent, reaction product that contains sulfate and sulfite, and coal fly ash. Generally, dry FGD by-products are treated as solid wastes and disposed in landfills. However, landfill sites are becoming scarce and tipping fees are constantly increasing. Provided the environmental impacts are socially and scientifically acceptable, beneficial uses via recycling can provide economic benefits to both the producer and the end user of the FGD. A study titled ''Land Application Uses for Dry Flue Gas Desulfurization By-Products'' was initiated in December, 1990 to develop and demonstrate large volume, beneficial uses of FGD by-products. Phase 1 and Phase 2 reports have been published by the Electric Power Research Institute (EPRI), Palo Alto, CA. Phase 3 objectives were to demonstrate, using field studies, the beneficial uses of FGD by-products (1) as an amendment material on agricultural lands and on abandoned surface coal mine land, (2) as an engineering material for soil stabilization and raid repair, and (3) to assess the environmental and economic impacts of such beneficial uses. Application of dry FGD by-product to three soils in place of agricultural limestone increased alfalfa (Medicago sativa L.) and corn (Zea may L.) yields. No detrimental effects on soil and plant quality were observed.

  18. Frequency metrology of a photomixing source for gas phase spectroscopy

    Hindle, Francis; Mouret, Gael; Yang, Chun; Cuisset, Arnaud; Bocquet, Robin; Lours, Michel; Rovera, Daniele

    2010-08-01

    The availability of frequency combs has opened new possibilities for the measurement of optical frequencies. Photomixing is an attractive solution for high resolution THz spectroscopy of gases due to the narrow spectral resolution and ability to access the 100 GHz to 3.5 THz range. One limitation of present photomixing spectrometers is the accuracy with which the THz frequency is established. Measurement of the centre frequency gas phase molecular transitions requires an accuracy better than 100 kHz in order to allow spectroscopic constants to be determined. Standard optical techniques like those employed in wavelength meters can only provide accuracies in the order of 50 MHz. We have used a turnkey fibre based frequency comb and a standard photomixing configuration to realize a THz synthesizer with an accuracy of around 50kHz. Two ECDLs used to pump the photomixer are phase locked onto the frequency comb and provide a tuning range of 10 MHz. In order to extend the tuning range an additional phase locked ECLD has been added to obtain a range in excess of 100 MHz. The absorption profiles of many Doppler limited transitions of carbonyl sulphide and formaldehyde have been measured to validate this instrument.

  19. Nucleation and dissociation of nano-particles in gas phase

    Feiden, P.

    2007-09-01

    This work deals with the study of nano-particles formation in gas phase and their dissociation pathways after an optical excitation. The clusters formation decomposes in two steps: a seed is formed (nucleation phase) and sticks atoms during its propagation in a sodium atomic vapor (growth phase). Those two steps have been observed separately for homogeneous Na n and heterogeneous Na n X particles (X = (NaOH) 2 or (Na 2 O) 2 ). The growth mechanism is well interpreted by a Monte Carlo simulation taking into account an accretion mechanism with hard-sphere cross section. The homogeneous nucleation mechanism has been highlighted by a direct comparison with the Classical Nucleation Theory predictions. The clusters fragmentation of ionic Na + (NaOH) p et Na + (NaF) p particles is studied in the second part. The way clusters fragment with size when they are excited optically is compared with theoretical previsions: this highlights the existence of an energetic barrier for special size of clusters. Finally, the fragmentation of doubly charged Na + Na + (NaOH) p clusters shows a competition between the fission into two single charged fragments and the unimolecular evaporation of a neutral fragment. (author)

  20. Biochar carbon stability and effect on greenhouse gas emissions

    Bruun, Esben Wilson; Cross, Andrew; Hammond, Jim

    2016-01-01

    As demonstrated by several scientific studies there is no doubt that biochar in general is very recalcitrant compared to other organic matter additions and soil organic matter fractions and also that it is possible to sequester carbon at a climate change relevant time scale (~100 years or more......) by soil application of biochar. However, the carbon stability of biochar in soil is strongly correlated with the degree of thermal alteration of the original feedstock (the lower the temperature, the larger the labile fraction) and in depth understanding of the technology used and its effect...... on the biochar quality is necessary in order to produce the most beneficial biochars for soil application. Beside carbon sequestration in soil biochar may improve the GHG balance by reducing N2O and CH4 soil emissions, although contrasting results are found in the literature. The mechanisms behind...

  1. Modelling of gas-liquid reactors - stability and dynamic behaviour of gas-liquid mass transfer accompanied by irreversible reaction

    Elk, van E.P.; Borman, P.C.; Kuipers, J.A.M.; Versteeg, G.F.

    1999-01-01

    The dynamic behaviour and stability of single-phase reacting systems has been investigated thoroughly in the past and design rules for stable operation are available from literature. The dynamic behaviour of gas–liquid processes is considerably more complex and has received relatively little

  2. Thermal Stability Test of Sugar Alcohols as Phase Change Materials for Medium Temperature Energy Storage Application

    Solé, Aran; Neumann, Hannah; Niedermaier, Sophia; Cabeza, Luisa F.; Palomo, Elena

    2014-01-01

    Sugar alcohols are potential phase change materials candidates as they present high phase change enthalpy values, are non-toxic and low cost products. Three promising sugar-alcohols were selected: D-mannitol, myo-inositol and dulcitol under high melting enthalpy and temperature criterion. Thermal cycling tests were performed to study its cycling stability which can be determining when selecting the suitable phase change material. D-mannitol and dulcitol present poor thermal stability...

  3. Stabilizing effect of gas conductivity evolution on the resistive sausage mode of a propagating beam

    Lampe, M.; Joyce, G.

    1983-01-01

    Previous theoretical work has shown that a highly current-neutralized charged particle beam propagating in a preionized plasma channel of fixed conductivity is subject to a resistive sausage instability. It is shown that the instability is stabilized, for the case of beam propagation into an initially un-ionized gas, when the effect of beam-collisional ionization on the gas conductivity is modeled fully self-consistently

  4. Phase evolution and thermal properties of yttria-stabilized hafnia nano-coatings deposited on alumina

    Rubio, Ernesto Javier

    High-temperature coatings are critical to the future power-generation systems and industries. Thermal barrier coatings (TBCs), which are usually the ceramic materials applied as thin coatings, protect engine components and allow further increase in engine temperatures for higher efficiency. Thus, the durability and reliability of the coating systems have to be more robust compared to current natural gas based engines. While a near and mid-term target is to develop TBC architecture with a 1300 °C surface temperature tolerance, a deeper understanding of the structure evolution and thermal behavior of the TBC-bond coat interface, specifically the thermally grown oxide (TGO), is of primary importance. In the present work, attention is directed towards yttria-stabilized hafnia (YSH) coatings on alumina (α-Al2O 3) to simulate the TBC-TGO interface and understand the phase evolution, microstructure and thermal oxidation of the coatings. YSH coatings were grown on α-Al2O3 substrates by sputter deposition by varying coating thickness in a wide range ˜30-1000 nm. The effect of coating thickness on the structure, morphology and the residual stress has been investigated using X-ray diffraction (XRD) and high resolution scanning electron microscopy (SEM). Thermal oxidation behavior of the coatings has been evaluated using the isothermal oxidation measurements under static conditions. X-ray diffraction analyses revealed the existence of monoclinic hafnia phase for relatively thin coatings indicating that the interfacial phenomena are dominant in phase stabilization. The evolution towards pure stabilized cubic phase of hafnia with the increasing coating thickness is observed. The SEM results indicate the changes in morphology of the coatings; the average grain size increases from 15 to 500 nm with increasing thickness. Residual stress was calculated employing XRD using the variable ψ-angle. Relation between residual stress and structural change is also studied. The results

  5. Grain size stabilization of tetragonal phase of zirconia in sputtered Zr-O cermet films

    Hadavi, M. S.; Keshmiri, H.; Kompany, A.; Zhang, Q. C.

    2005-01-01

    In this research, thin films of Zr/ZrO 2 composites were deposited by reactive magnetron sputtering technique on Si and fused Silica substrates, and their structures were investigated by x-ray diffraction method. During the deposition of the cermet layers, a Zr metallic target was sputtered in a gas mixture of Ar and O 2 . By controlling of O 2 flow rate, the different metal volume fractions in the cermet layers were achieved. The optical response of the samples was studied using spectroscopy methods. Also the effect of vacuum annealing on the structures and the optical properties were studies. x-ray diffraction results indicated that the prepared samples were amorphous and vacuum annealing induced crystallization in the cermet films. This research also show that without doping, the tetragonal phase of Zirconia can be stabilized at a temperature lower than the normal transition temperature. This is g rain size stabilization a nd relates to the small size of the crystallizes. In order to study the electron diffraction in the selected area patterns, the samples were analysed by a high-resolution transmission microscope. The selected area patterns results showed that all of the as prepared samples were amorphous showing evidence of very small Zr crystallites immersed in a dielectric medium. The Sad results are in close agreement with those obtained by x-ray diffraction analysis

  6. Gas Migration Processes through the Gas Hydrate Stability Zone at Four-Way Closure Ridge Offshore SW Taiwan

    Kunath, P.; Chi, W. C.; Berndt, C.; Liu, C. S.

    2016-12-01

    We have used 3D P-Cable seismic data from Four-Way-Closure Ridge, a NW-SE trending anticlinal ridge within the lower slope domain of accretionary wedge, to investigate the geological constraints influencing the fluid migration pattern in the shallow marine sediments. In the seismic data, fluid migration feature manifests itself as high reflection layers of dipping strata, which originate underneath a bottom simulating reflector (BSR) and extend towards the seafloor. Shoaling of the BSR near fluid migration pathways indicates a focused fluid flux, perturbing the temperature field. Furthermore, seafloor video footage confirmed the presence of recent methane seepage above seismically imaged fluid migration pathways. We plan to test two hypotheses for the occurrence of these fluid migration pathways: 1) the extensional regime under the anticlinal ridge crest caused the initiation of localized fault zones, acting as fluid conduits in the gas hydrate stability zone (GHSZ). 2) sediment deformation induced by focused fluid flow and massive growth and dissolution of gas hydrate, similar to processes controlling the evolution of pockmarks on the Nigerian continental margin. We suggest that these processes may be responsible for the formation of a massive hydrate core in the crest of the anticline, as inferred from other geophysical datasets. Triggering process for fluid migration cannot be clearly defined. However, the existence of blind thrust faults may help to advect deep-seated fluids. This may be augmented by biogenic production of shallow gas underneath the ridge, where the excess of gas enables the coexistence of gas, water, and gas hydrate within the GHSZ. Fluid migration structures may exists because of the buoyancy of gas-bearing fluids. This study shows a potential model on how gas-bearing fluids migrate upward towards structural highs, which might occur in other anticlinal structures around the world. Keywords: P-Cable, gas-hydrate, fluid flow, fault-related fold

  7. Regenerable Air Purification System for Gas-Phase Contaminant Control

    Constantinescu, Ileana C.; Finn, John E.; LeVan, M. Douglas; Lung, Bernadette (Technical Monitor)

    2000-01-01

    Tests of a pre-prototype regenerable air purification system (RAPS) that uses water vapor to displace adsorbed contaminants from an adsorbent column have been performed at NASA Ames Research Center. A unit based on this design can be used for removing trace gas-phase contaminants from spacecraft cabin air or from polluted process streams including incinerator exhaust. During the normal operation mode, contaminants are removed from the air on the column. Regeneration of the column is performed on-line. During regeneration, contaminants are displaced and destroyed inside the closed oxidation loop. In this presentation we discuss initial experimental results for the performance of RAPS in the removal and treatment of several important spacecraft contaminant species from air.

  8. Synthesis and Gas Phase Thermochemistry of Germanium-Containing Compounds

    Classen, Nathan Robert [Iowa State Univ., Ames, IA (United States)

    2002-01-01

    The driving force behind much of the work in this dissertation was to gain further understanding of the unique olefin to carbene isomerization observed in the thermolysis of 1,1-dimethyl-2-methylenesilacyclobutane by finding new examples of it in other silicon and germanium compounds. This lead to the examination of a novel phenylmethylenesilacyclobut-2-ene, which did not undergo olefin to carbene rearrangement. A synthetic route to methylenegermacyclobutanes was developed, but the methylenegermacyclobutane system exhibited kinetic instability, making the study of the system difficult. In any case the germanium system decomposed through a complex mechanism which may not include olefin to carbene isomerization. However, this work lead to the study of the gas phase thermochemistry of a series of dialkylgermylene precursors in order to better understand the mechanism of the thermal decomposition of dialkylgermylenes. The resulting dialkylgermylenes were found to undergo a reversible intramolecular β C-H insertion mechanism.

  9. Technical Procedures Management in Gas-Phase Detoxification Laboratory

    Cardona Garcia, A. I.; Sanchez Cabrero, B.

    2000-01-01

    The natural cycle of Volatile Organic Compounds (VOCs) has been disturbed by the industrial and socioeconomic activities of human beings. This imbalance in the environment has affected the ecosystems and the human health. Initiatives have been planned to mitigate these adverse effects. In order to minimize the hazardous effects, initiatives have been proposed for the treatment of gaseous emissions. The solar photo catalysis appears as a clear and renewable technology in front of the conventional ones.In CIEMAT this line is being investigated as the base of a future implementation at a pre industrial scale.Technical procedures are written in this document for testing Gas-Phase detoxification at lab scale in the Renewable Energy Department (DER) CIEMAT- Madrid to eliminate the VOCs by using the solar photo catalysis technology. (Author) 34 refs

  10. Gas-phase synthesis of magnetic metal/polymer nanocomposites

    Starsich, Fabian H. L.; Hirt, Ann M.; Stark, Wendelin J.; Grass, Robert N.

    2014-12-01

    Highly magnetic metal Co nanoparticles were produced via reducing flame spray pyrolysis, and directly coated with an epoxy polymer in flight. The polymer content in the samples varied between 14 and 56 wt% of nominal content. A homogenous dispersion of Co nanoparticles in the resulting nanocomposites was visualized by electron microscopy. The size and crystallinity of the metallic fillers was not affected by the polymer, as shown by XRD and magnetic hysteresis measurements. The good control of the polymer content in the product nanocomposite was shown by elemental analysis. Further, the successful polymerization in the gas phase was demonstrated by electron microscopy and size measurements. The presented effective, dry and scalable one-step synthesis method for highly magnetic metal nanoparticle/polymer composites presented here may drastically decrease production costs and increase industrial yields.

  11. Gas-Phase Thermolysis of a Thioketen-S-Oxide

    Carlsen, Lars; Egsgaard, Helge; Schaumann, Ernst

    1980-01-01

    The unimolecular gas-phase thermolytic decomposition of 1,1,3,3-tetramethyl-2-thiocarbonylcyclohexane S-oxide (3) has been studied as a function of temperature by a flash vacuum thermolysis (f.v.t.) technique. The products detected are the carbenes (4) and (5), the ketone (6), the keten (7......), the thioketone (8), and the thioketen (9). The product ratio is highly dependent on the thermolysis temperature. The thermolysis of (3) is mechanistically rationalized by assuming the existence of only two concurrent primary processes, which are (a) extrusion of atomic oxygen, leading to the thioketen (9...... and CSO leading to the carbenes (5) and (4), respectively, are observed. Owing to an apparently very short half-life of the oxathiiran (10), only the decomposition products of the three-membered ring compound have been detected. These are the thioketone (8), formed by rearrangement of (10) into the α...

  12. Statistical Physics of Nanoparticles in the Gas Phase

    Hansen, Klavs

    2013-01-01

    Thermal processes are ubiquitous and an understanding of thermal phenomena is essential for a complete description of the physics of nanoparticles, both for the purpose of modeling the dynamics of the particles and for the correct interpretation of experimental data. This book has the twofold aim to present coherently the relevant results coming from the recent scientific literature and to guide the readers through the process of deriving results, enabling them to explore the limits of the mathematical approximations and test the power of the method. The book is focused on the fundamental properties of nanosystems in the gas phase. For this reason there is a strong emphasis on microcanonical physics. Each chapter is enriched with exercises and 3 Appendices provide additional useful materials.

  13. Multiphase flow and transport caused by spontaneous gas phase growth in the presence of dense non-aqueous phase liquid.

    Roy, James W; Smith, James E

    2007-01-30

    Disconnected bubbles or ganglia of trapped gas may occur below the top of the capillary fringe through a number of mechanisms. In the presence of dense non-aqueous phase liquid (DNAPL), the disconnected gas phase experiences mass transfer of dissolved gases, including volatile components from the DNAPL. The properties of the gas phase interface can also change. This work shows for the first time that when seed gas bubbles exist spontaneous gas phase growth can be expected to occur and can significantly affect water-gas-DNAPL distributions, fluid flow, and mass transfer. Source zone behaviour was observed in three different experiments performed in a 2-dimensional flow cell. In each case, a DNAPL pool was created in a zone of larger glass beads over smaller glass beads, which served as a capillary barrier. In one experiment effluent water samples were analyzed to determine the vertical concentration profile of the plume above the pool. The experiments effectively demonstrated a) a cycle of spontaneous gas phase expansion and vertical advective mobilization of gas bubbles and ganglia above the DNAPL source zone, b) DNAPL redistribution caused by gas phase growth and mobilization, and c) that these processes can significantly affect mass transport from a NAPL source zone.

  14. Gas-Stabilizing Gold Nanocones for Acoustically Mediated Drug Delivery.

    Mannaris, Christophoros; Teo, Boon M; Seth, Anjali; Bau, Luca; Coussios, Constantin; Stride, Eleanor

    2018-04-25

    The efficient penetration of drugs into tumors is a major challenge that remains unmet. Reported herein is a strategy to promote extravasation and enhanced penetration using inertial cavitation initiated by focused ultrasound and cone-shaped gold nanoparticles that entrap gas nanobubbles. The cones are capable of initiating inertial cavitation under pressures and frequencies achievable with existing clinical ultrasound systems and of promoting extravasation and delivery of a model large therapeutic molecule in an in vitro tissue mimicking flow phantom, achieving penetration depths in excess of 2 mm. Ease of functionalization and intrinsic imaging capabilities provide gold with significant advantages as a material for biomedical applications. The cones show neither cytotoxicity in Michigan Cancer Foundation (MCF)-7 cells nor hemolytic activity in human blood at clinically relevant concentrations and are found to be colloidally stable for at least 5 d at 37 °C and several months at 4 °C. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Precursor-Less Coating of Nanoparticles in the Gas Phase

    Tobias V. Pfeiffer

    2015-03-01

    Full Text Available This article introduces a continuous, gas-phase method for depositing thin metallic coatings onto (nanoparticles using a type of physical vapor deposition (PVD at ambient pressure and temperature. An aerosol of core particles is mixed with a metal vapor cloud formed by spark ablation by passing the aerosol through the spark zone using a hollow electrode configuration. The mixing process rapidly quenches the vapor, which condenses onto the core particles at a timescale of several tens of milliseconds in a manner that can be modeled as bimodal coagulation. Gold was deposited onto core nanoparticles consisting of silver or polystyrene latex, and silver was deposited onto gold nanoparticles. The coating morphology depends on the relative surface energies of the core and coating materials, similar to the growth mechanisms known for thin films: a coating made of a substance having a high surface energy typically results in a patchy coverage, while a coating material with a low surface energy will normally “wet” the surface of a core particle. The coated particles remain gas-borne, allowing further processing.

  16. Nanosize stabilization of cubic and tetragonal phases in reactive plasma synthesized zirconia powders

    Jayakumar, S., E-mail: sjayakumar.physics@gmail.com [Research and Development Centre, Bharathiar University, Coimbatore 641 014 (India); Department of Physics, Pollachi Institute of Engineering and Technology, Pollachi 642 205 (India); Ananthapadmanabhan, P.V.; Thiyagarajan, T.K. [Laser and Plasma Technology Division, BARC, Trombay, Mumbai 400 085 (India); Perumal, K. [Vision for Wisdom, Temple of Consciousness, Aliyar 642 101 (India); Mishra, S.C. [Department of Metallurgical and Materials Engg, National Institute of Technology, Rourkela 769 008 (India); Suresh, G. [Department of Physics, Park College of Engineering and Technology, Coimbatore 641 659 (India); Su, L.T.; Tok, A.I.Y. [School of Materials Science and Engg, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639 798 (Singapore)

    2013-06-15

    Pure zirconium oxide powders with particle size 2–33 nm are synthesized by reactive plasma processing. Transmission electron microscopy investigation of these particles revealed size dependent behavior for their phase stabilization. The monoclinic phase is found to be stable when particle size is ≥20 nm; Tetragonal is found to be stabilized in the range of 7–20 nm and as the particle size decreases to 6 nm and less, the cubic phase is stabilized. - Highlights: ► Direct conversion of micron-sized zirconium hydride powder to single crystal ZrO{sub 2} nanopowder. ► Size dependent stabilization of cubic, tetragonal and monoclinic phases in the reactive plasma synthesized ZrO{sub 2} nanopowder. ► Transmission electron microscopic investigation to identify particles of different sizes and their corresponding phase structure.

  17. Studies of cluster-assembled materials: From gas phase to condensed phase

    Gao, Lin

    . After being mass gated in a reflectron equipped time-of-flight mass spectrometer (TOF-MS) and deposited onto TEM grids, the resultant specimens can be loaded onto high-resolution TEM investigation via electron diffraction. In conclusion, soft-landing of mass selected clusters has been shown to be a successful approach to obtain structural information on Zr-Met-Car cluster-assembled materials collected from the gas phase. TEM images indicate the richness of the morphologies associated with these cluster crystals. However, passivation methods are expected to be examined further to overcome the limited stabilities of these novel clusters. From this initial study, it's shown the promising opportunity to study other Met-Cars species and more cluster-based materials. Experimental results of reactions run with a solvothermal synthesis method obtained while searching for new Zr-C cluster assembled materials, are reported. One unexpected product in single crystal form was isolated and tentatively identified by X-ray diffraction to be [Zr6i O(OH)O12·2(Bu)4], with space group P2 1/n and lattice parameters of a = 12.44 A, b = 22.06 A, c = 18.40 A, alpha = 90°, beta = 105°, gamma = 90°, V = 4875 A3 and R 1 = 3.15% for the total observed data (I ≥ 2 sigma I) and oR2 = 2.82%. This novel hexanuclear Zr(IV)-oxo-hydroxide cluster anion may be the first member in polyoxometalates class with metal atoms from the IVB group and having Oh symmetry. Alternatively, it may be the first member in {[(Zr6Z)X 12]X6}m- class with halides replaced by oxo- and hydroxyl groups and with an increased oxidation state of Zr. It is predicted to bear application potentials directed by both families. This work could suggest a direction in which the preparation of Zr-C cluster-assembled materials in a liquid environment may be eventually fulfilled. 1,3-Bis(diethylphosphino)propane (depp) protected small gold clusters are studied via multiple techniques, including Electrospray Ionization Mass Spectrometry

  18. Effect of changes in seafloor temperature and sea-level on gas hydrate stability

    Garg, S.K.; Pritchett, W. [Science Applications International Corp., San Diego, CA (United States)

    2008-07-01

    Natural gas hydrates occur in oceanic sediments and in permafrost regions around the world. As a greenhouse gas, large amounts of methane released from the global hydrate reservoir would have a significant impact on Earth's climate. The role of methane released by hydrate dissociation in climate change is uncertain. However, changes in global climate such as glaciation and warming can destabilize the hydrates. During the last glacial maximum, the sea level dropped about 100 meters. It has been suggested that the sea-level fall was associated with gas hydrate instability and seafloor slumping. This paper investigated the effect of changes in seafloor temperature and sea level on gas hydrate stability and on gas venting at the seafloor. A one-dimensional numerical computer model (simulator) was developed to describe methane hydrate formation, decomposition, reformation, and distribution with depth below the seafloor in the marine environment. The simulator was utilized to model hydrate distributions at two sites, notably Blake Ridge, located offshore South Carolina and Hydrate Ridge, located off the coast of Oregon. The numerical models for the two sites were conditioned by matching the sulfate, chlorinity, and hydrate distribution measurements. The effect of changes in seafloor temperature and sea-level on gas hydrate stability were then investigated. It was concluded that for Blake Ridge, changes in hydrate concentration were small. Both the changes in seafloor temperature and sea-level led to a substantial increase in gas venting at the seafloor for Hydrate Ridge. 17 refs., 8 figs.

  19. Liquid crystal blue phases: stability, field effects and alignment

    Gleeson, HF; Miller, RJ; Tian, L; Görtz, V; Goodby, JW

    2015-01-01

    The blue phases are fascinating structures in liquid crystals, fluids that exhibit cubic structures that have true crystalline order. The blue phases were discovered in the 1970s and were the subject of extensive research in the 1980s, when a deep understanding of many of their properties was established. The discovery that the blue phases could be stabilised to exist over wide temperature ranges meant that they became more than scientific curiosities and led to a recent resurgence in researc...

  20. Atomic and molecular physics in the gas phase

    Toburen, L.H.

    1990-09-01

    The spatial and temporal distributions of energy deposition by high-linear-energy-transfer radiation play an important role in the subsequent chemical and biological processes leading to radiation damage. Because the spatial structures of energy deposition events are of the same dimensions as molecular structures in the mammalian cell, direct measurements of energy deposition distributions appropriate to radiation biology are infeasible. This has led to the development of models of energy transport based on a knowledge of atomic and molecular interactions process that enable one to simulate energy transfer on an atomic scale. Such models require a detailed understanding of the interactions of ions and electrons with biologically relevant material. During the past 20 years there has been a great deal of progress in our understanding of these interactions; much of it coming from studies in the gas phase. These studies provide information on the systematics of interaction cross sections leading to a knowledge of the regions of energy deposition where molecular and phase effects are important and that guide developments in appropriate theory. In this report studies of the doubly differential cross sections, crucial to the development of stochastic energy deposition calculations and track structure simulation, will be reviewed. Areas of understanding are discussed and directions for future work addressed. Particular attention is given to experimental and theoretical findings that have changed the traditional view of secondary electron production for charged particle interactions with atomic and molecular targets

  1. Reaction scheme of partial oxidation of methane to synthesis gas over yttrium-stabilized zirconia

    Zhu, J.J.; van Ommen, J.G.; Lefferts, Leonardus

    2004-01-01

    The partial oxidation of methane to synthesis gas over yttrium-stabilized zirconia (YSZ) was studied with in situ FTIR and both steady-state and transient experiments. The four major products, CO, H2, CO2, and H2O, are primary products of CPOM over YSZ. Besides these major products and traces of

  2. Electron-beam synthesis of fuel in the gas phase

    Ponomarev, A.V.; Holodkova, E.M.; Ershov, B.G.

    2011-01-01

    Complete text of publication follows. Tendencies of world development focus attention on a vegetative biomass as on the major raw resource for future chemistry and a fuel industry. The significant potential for perfection of biomass conversion processes is concentrated in the field of radiation-chemical methods. Both the mode of post-radiation distillation and mode of electron-beam distillation of biomass have been investigated as well as the mode of gas-phase synthesis of liquid engine fuel from of biomass distillation products. Synergistic action of radiation and temperature has been analyzed at use of the accelerated electron beams allowing to combine radiolysis with effective radiation heating of a material without use of additional heaters. At dose rate above 1 kGy/s the electron-beam irradiation results in intensive decomposition of a biomass and evaporation of formed fragments with obtaining of a liquid condensate (∼ 60 wt%), CO 2 and Co gases (13-18 wt%) and charcoal in the residue. Biomass distillation at radiation heating allows to increase almost three times an organic liquid yield in comparison with pyrolysis. The majority of liquid products from cellulose is represented by the furan derivatives considered among the very perspective components for alternative engine fuels. Distilled-off gases and vapors are diluted with gaseous C 1 -C 5 alkanes and again are exposed to an irradiation to produce liquid fuel from a biomass. This transformation is based on a method of electron-beam circulation conversion of gaseous C 1 -C 5 alkanes (Ponomarev, A.V., Radiat. Phys. Chem., 78, 48, 2009) which consists in formation and removal of liquid products with high degree of carbon skeleton branching. The isomers ratio in a liquid may be controlled by means of change of an irradiation condition and initial gas composition. The irradiation of gaseous alkanes together with vaporous products of biomass destruction allows to synthesize the fuel enriched by conventional

  3. Possibilities of gas-phase radio-chromatography application to permanent-gas analysis

    Dupuis, M.C.; Charrier, G.; Alba, C.; Massimino, D.

    1970-01-01

    The gas-phase radio-chromatography technique has been applied to the rapid analysis of permanent gases (H 2 , O 2 , N 2 , A, Kr, Xe, CO, CH 4 ) labelled with radioactive indicators ( 3 H, 37 A, 85 Kr, 133 Xe). After calibration, the components of such a mixture can be identified and their concentrations measured in less than two hours, using a sample volume of from 0.1 to 10 cm 3 . The minimum detectable activity is of the order of 10 -4 μC for each radioactive isotope. The measurements are reproducible to about 2 to 3 per cent. This work has been mainly concerned with the influence of parameters affecting the response of the radioactivity detector (ionization chamber or gas flow proportional counter). The method has very numerous applications both theoretically, for the study of chromatographic phenomena under ideal conditions (infinitesimal concentrations made possible by the use of radioactive tracers), and practically, for rapid and accurate radiochemical analysis of radioactive gas mixtures. (authors) [fr

  4. Gas-Phase Thermal Tautomerization of Imidazole-Acetic Acid: Theoretical and Computational Investigations

    Saadullah G. Aziz

    2015-11-01

    Full Text Available The gas-phase thermal tautomerization reaction between imidazole-4-acetic (I and imidazole-5-acetic (II acids was monitored using the traditional hybrid functional (B3LYP and the long-range corrected functionals (CAM-B3LYP and ωB97XD with 6-311++G** and aug-cc-pvdz basis sets. The roles of the long-range and dispersion corrections on their geometrical parameters, thermodynamic functions, kinetics, dipole moments, Highest Occupied Molecular Orbital–Lowest Unoccupied Molecular Orbital (HOMO–LUMO energy gaps and total hyperpolarizability were investigated. All tested levels of theory predicted the preference of I over II by 0.750–0.877 kcal/mol. The origin of predilection of I is assigned to the H-bonding interaction (nN8→σ*O14–H15. This interaction stabilized I by 15.07 kcal/mol. The gas-phase interconversion between the two tautomers assumed a 1,2-proton shift mechanism, with two transition states (TS, TS1 and TS2, having energy barriers of 47.67–49.92 and 49.55–52.69 kcal/mol, respectively, and an sp3-type intermediate. A water-assisted 1,3-proton shift route brought the barrier height down to less than 20 kcal/mol in gas-phase and less than 12 kcal/mol in solution. The relatively high values of total hyperpolarizability of I compared to II were interpreted and discussed.

  5. Stability of Laves Phases in the Cr Zr System

    Pavlů, Jana; Vřešťál, Jan; Šob, Mojmír

    2009-01-01

    Roč. 33, č. 2 (2009), s. 382-387 ISSN 0364-5916 R&D Projects: GA ČR GA106/07/1078 Institutional research plan: CEZ:AV0Z20410507 Keywords : ab initio calculations * Laves phases * phase diagrams Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.904, year: 2009

  6. Single-step gas phase synthesis of stable iron aluminide nanoparticles with soft magnetic properties

    Vernieres, Jerome, E-mail: Jerome.vernieres@oist.jp; Benelmekki, Maria; Kim, Jeong-Hwan; Grammatikopoulos, Panagiotis; Diaz, Rosa E. [Nanoparticles by Design Unit, Okinawa Institute of Science and Technology (OIST) Graduate University, 1919-1 Tancha, Onna Son, Okinawa 904-0495 (Japan); Bobo, Jean-François [Centre d’Elaboration de Materiaux et d’Etudes Structurales (CEMES), 29 rue Jeanne Marvig, 31055 Toulouse Cedex 4 (France); Sowwan, Mukhles, E-mail: Mukhles@oist.jp [Nanoparticles by Design Unit, Okinawa Institute of Science and Technology (OIST) Graduate University, 1919-1 Tancha, Onna Son, Okinawa 904-0495 (Japan); Nanotechnology Research Laboratory, Al-Quds University, P.O. Box 51000, East Jerusalem, Palestine (Country Unknown)

    2014-11-01

    Soft magnetic alloys at the nanoscale level have long generated a vivid interest as candidate materials for technological and biomedical purposes. Consequently, controlling the structure of bimetallic nanoparticles in order to optimize their magnetic properties, such as high magnetization and low coercivity, can significantly boost their potential for related applications. However, traditional synthesis methods stumble upon the long standing challenge of developing true nanoalloys with effective control over morphology and stability against oxidation. Herein, we report on a single-step approach to the gas phase synthesis of soft magnetic bimetallic iron aluminide nanoparticles, using a versatile co-sputter inert gas condensation technique. This method allowed for precise morphological control of the particles; they consisted of an alloy iron aluminide crystalline core (DO{sub 3} phase) and an alumina shell, which reduced inter-particle interactions and also prevented further oxidation and segregation of the bimetallic core. Remarkably, the as-deposited alloy nanoparticles show interesting soft magnetic properties, in that they combine a high saturation magnetization (170 emu/g) and low coercivity (less than 20 Oe) at room temperature. Additional functionality is tenable by modifying the surface of the particles with a polymer, to ensure their good colloidal dispersion in aqueous environments.

  7. Gas-phase synthesis of semiconductor nanocrystals and its applications

    Mandal, Rajib

    Luminescent nanomaterials is a newly emerging field that provides challenges not only to fundamental research but also to innovative technology in several areas such as electronics, photonics, nanotechnology, display, lighting, biomedical engineering and environmental control. These nanomaterials come in various forms, shapes and comprises of semiconductors, metals, oxides, and inorganic and organic polymers. Most importantly, these luminescent nanomaterials can have different properties owing to their size as compared to their bulk counterparts. Here we describe the use of plasmas in synthesis, modification, and deposition of semiconductor nanomaterials for luminescence applications. Nanocrystalline silicon is widely known as an efficient and tunable optical emitter and is attracting great interest for applications in several areas. To date, however, luminescent silicon nanocrystals (NCs) have been used exclusively in traditional rigid devices. For the field to advance towards new and versatile applications for nanocrystal-based devices, there is a need to investigate whether these NCs can be used in flexible and stretchable devices. We show how the optical and structural/morphological properties of plasma-synthesized silicon nanocrystals (Si NCs) change when they are deposited on stretchable substrates made of polydimethylsiloxane (PDMS). Synthesis of these NCs was performed in a nonthermal, low-pressure gas phase plasma reactor. To our knowledge, this is the first demonstration of direct deposition of NCs onto stretchable substrates. Additionally, in order to prevent oxidation and enhance the luminescence properties, a silicon nitride shell was grown around Si NCs. We have demonstrated surface nitridation of Si NCs in a single step process using non?thermal plasma in several schemes including a novel dual-plasma synthesis/shell growth process. These coated NCs exhibit SiNx shells with composition depending on process parameters. While measurements including

  8. Conformational preferences of γ-aminobutyric acid in the gas phase and in water

    Song, Il Keun; Kang, Young Kee

    2012-09-01

    The conformational study of γ-aminobutyric acid (GABA) has been carried out at the M06-2X/cc-pVTZ level of theory in the gas phase and the SMD M06-2X/cc-pVTZ level of theory in water. In the gas phase, the folded conformation gG1 with gauche- and gauche+ conformations for the Cβsbnd Cα and Cγsbnd Cβ bonds, respectively, is found to be lowest in energy and enthalpy, which can be ascribed to the favored hyperconjugative n → π* interaction between the lone electron pair of the amine nitrogen atom and the Cdbnd O bond of the carboxylic group and the favored antiparallel dipole-dipole interaction between the Nsbnd H bond and the Cdbnd O bond. In addition, the intramolecular hydrogen bonds between the carboxylic group and the amine Nsbnd H group have contributed to stabilize some low-energy conformers. However, the most preferred conformation is found to be tG1 and more stable by 0.4 kcal/mol in ΔG than the conformer gG1, in which the favored entropic term due to the conformational flexibility and the other favored n → σ*, σ → σ*, and π → σ* interactions seem to play a role. The conformational preferences of the neutral GABA calculated by ΔG's are reasonably consistent with the populations deduced from FT microwave spectroscopy in supersonic jets combined with laser ablation. In water, the two folded conformers Gg and gG of the zwitterionic GABA are dominantly populated, each of which has the population of 47%, and the hydrogen bond between the ammonium Nsbnd H group and the lone electron pair of the Csbnd O- group seems to be crucial in stabilizing these conformers. Our calculated result that the folded conformers preferentially exist in water is consistent with the 1H NMR experiments in D2O.

  9. Characterization of condensed phase nitric acid particles formed in the gas phase

    Long Jia; Yongfu Xu

    2011-01-01

    The formation of nitric acid hydrates has been observed in a chamber during the dark reaction of NO2 with O3 in the presence of air.The size of condensed phase nitric acid was measured to be 40-100 nm and 20-65 nm at relative humidity (RH) ≤ 5% and RH = 67% under our experimental conditions, respectively.The nitric acid particles were collected on the glass fiber membrane and their chemical compositions were analyzed by infrared spectrum.The main components of nitric acid hydrates in particles are HNO3·3H2O and NO3-·xH2O (x≥ 4) at low RH, whereas at high RH HNO3·H2O, HNO3·2H2O, HNO3·3H2O and NO3-·xH2O (x≥ 4) all exist in the condensed phase.At high RH HNO3·xH2O (x ≤ 3) collected on the glass fiber membrane is greatly increased, while NO3-·xH2O (x ≥4) decreased, compared with low RH.To the best of our knowledge, this is the first time to report that condensed phase nitric acid can be generated in the gas phase at room temperature.

  10. Uptake of Organic Gas Phase Species by 1-Methylnaphthalene

    Zhang, H.; Xia, J.; Davidovits, P.; Jayne, J. T.; Kolb, C. E.; Worsnop, D. R.

    2002-12-01

    Using a droplet train apparatus, the mass accommodation coefficients (α) on 1-methylnapthalene of gas phase m-xylene, ethylbenzene, butylbenzene, α-pinene, γ-terpinene, and 2-methyl-2-hexanol were measured as a function of temperature (265 K to 296 K). 1-methylnapthalene was selected as a surrogate for hydrophobic and aromatic hydrocarbons found in tropospheric aerosols. The mass accommodation coefficients (α) of all the molecules obtained from these measurements exhibit negative temperature dependence. The upper and lower values of α at 265 K and 296 K respectively are: for m-xylene 0.44 and 0.26; for ethylbenzene 0.37 and 0.22; for butylbenzene 0.47 and 0.31; for α-pinene 0.47 and 0.096; for γ-terpinene 0.39 and 0.12; for 2-methyl-2-hexanol 0.44 and 0.26. The uptake measurements also yielded values for the product HDl1/2 for most of the molecules studied (H = Henry's law constant, Dl = liquid phase diffusion coefficient). Using calculated values of Dl the Henry's law constant is obtained, and expressed in the form ln H (M/atm) = -A + B/T. The A and B values for the molecules studied are listed in Table 1. Table 1: A and B values for the Henry's law constant H expressed as ln H (M/atm) = -A + B/T \\ m-xylene: A=7.20, B=4060\\ethylbenzene: A=5.81, B=3660\\butylbenzene: A=16.95, B=7330α-pinene: A=15.69, B=6360\\2-methyl-2-hexanol: A=9.95, B=4760

  11. Design and Fabrication of Porous Yttria-Stabilized Zirconia Ceramics for Hot Gas Filtration Applications

    Shahini, Shayan

    Hot gas filtration has received growing attention in a variety of applications over the past few years. Yttria-stabilized zirconia (YSZ) is a promising candidate for such an application. In this study, we fabricated disk-type porous YSZ filters using the pore forming procedure, in which poly methyl methacrylate (PMMA) was used as the pore-forming agent. After fabricating the pellets, we characterized them to determine their potential for application as gas filters. We investigated the effect of sintering temperature, polymer particle size, and polymer-to-ceramic ratio on the porosity, pore size, gas permeability, and Vickers hardness of the sintered pellets. Furthermore, we designed two sets of experiments to investigate the robustness of the fabricated pellets--i.e., cyclic heating/cooling and high temperature exposure. This study ushers in a robust technique to fabricate such porous ceramics, which have the potential to be utilized in hot gas filtration.

  12. First-principles study of noble gas stability in ThO{sub 2}

    Shao, Kuan [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Han, Han, E-mail: hanhanfudan@gmail.com [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Zhang, Wei [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Wang, Hui [School of Physics and Engineering, Henan University of Science and Technology, Luoyang 471003 (China); Wang, Chang-Ying; Guo, Yong-Liang [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Ren, Cui-Lan [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China)

    2017-07-15

    The stability of noble gases (He, Ne, Ar, Kr and Xe) in thorium dioxide is studied by means of density functional theory. The computations are performed considering insertion sites of ThO{sub 2}, including the interstitial sites, the thorium vacancies, the oxygen-thorium di-vacancy and three types of Schottky defects. Our results show that there is an approximately linear relation between the energies and the atomic radii. As the size of the noble gas atom increases, the noble gas atoms energetically prefer to incorporate into large vacancy defects rather than into interstitial positions. Moreover, the binding energy of Kr or Xe interstitial in a Schottky defect is larger than the formation energy of a Schottky defect, suggesting the Schottky defects are thermodynamically favorable in the presence of these noble gas atoms. The charged defects are also considered for noble gas atoms trapped in Th and O vacancies.

  13. Stability aspects of plasmas penetrated by neutral gas with respect to velocity driven modes

    Ohlsson, D.

    1978-08-01

    A study of the stability properties of dense partially ionized plasmas immersed in strong magnetic fields with respect to velocity driven modes are presented. First we consider modes driven by mass motion perpendicular to the lines of force and the unperturbed density and temperature gradients. The presence of a third fluid, neutral gas, gives under certain conditions rise to unstable modes. This type of instability arises independently or whether the applied electric field transverse to the lines of force, driving the mass motion, being parallel or antiparallel to the unperturbed density and temperature gradient. The presence of neutral gas also corresponds to stabilizing effects which, in certain parameter regions, result in a quenching of this instability. It is shown that modes driven by velocity shear perpendicular to the lines of force are effectively stabilized by viscous and resistive effects. These effects are in certain parameter ranges strongly enhanced on account of plasma-neutral gas interaction effects. In collisionless plasmas, modes driven by velocity shear parallel to the lines of force are stabilized by compressibility effects parallel to the magnetic field and by finite Larmor radius effects. (author)

  14. Mixed Finite Element Simulation with Stability Analysis for Gas Transport in Low-Permeability Reservoirs

    Mohamed F. El-Amin

    2018-01-01

    Full Text Available Natural gas exists in considerable quantities in tight reservoirs. Tight formations are rocks with very tiny or poorly connected pors that make flow through them very difficult, i.e., the permeability is very low. The mixed finite element method (MFEM, which is locally conservative, is suitable to simulate the flow in porous media. This paper is devoted to developing a mixed finite element (MFE technique to simulate the gas transport in low permeability reservoirs. The mathematical model, which describes gas transport in low permeability formations, contains slippage effect, as well as adsorption and diffusion mechanisms. The apparent permeability is employed to represent the slippage effect in low-permeability formations. The gas adsorption on the pore surface has been described by Langmuir isotherm model, while the Peng-Robinson equation of state is used in the thermodynamic calculations. Important compatibility conditions must hold to guarantee the stability of the mixed method by adding additional constraints to the numerical discretization. The stability conditions of the MFE scheme has been provided. A theorem and three lemmas on the stability analysis of the mixed finite element method (MFEM have been established and proven. A semi-implicit scheme is developed to solve the governing equations. Numerical experiments are carried out under various values of the physical parameters.

  15. Numerical simulation for gas-liquid two-phase flow in pipe networks

    Li Xiaoyan; Kuang Bo; Zhou Guoliang; Xu Jijun

    1998-01-01

    The complex pipe network characters can not directly presented in single phase flow, gas-liquid two phase flow pressure drop and void rate change model. Apply fluid network theory and computer numerical simulation technology to phase flow pipe networks carried out simulate and compute. Simulate result shows that flow resistance distribution is non-linear in two phase pipe network

  16. Phase Stability of a Powder Metallurgy Disk Superalloy

    Gabb, Timothy P.; Gayda, John; Kantzos, P.; Telesman, Jack; Gang, Anita

    2006-01-01

    Advanced powder metallurgy superalloy disks in aerospace turbine engines now entering service can be exposed to temperatures approaching 700 C, higher than those previously encountered. They also have higher levels of refractory elements, which can increase mechanical properties at these temperatures but can also encourage phase instabilities during service. Microstructural changes including precipitation of topological close pack phase precipitation and coarsening of existing gamma' precipitates can be slow at these temperatures, yet potentially significant for anticipated disk service times exceeding 1,000 h. The ability to quantify and predict such potential phase instabilities and degradation of capabilities is needed to insure structural integrity and air worthiness of propulsion systems over the full life cycle. A prototypical advanced disk superalloy was subjected to high temperature exposures, and then evaluated. Microstructural changes and corresponding changes in mechanical properties were quantified. The results will be compared to predictions of microstructure modeling software.

  17. Gas phase reactions of nitrogen oxides with olefins

    Altshuller, A P; Cohen, I

    1961-01-01

    The nature of the condensation products formed in the gas phase reactions of nitrogen dioxide and nitric oxide with pentene-1, 2-methylbutene-2, and 2-methylbutadiene-1,3 was investigated. The reactants were combined at partial pressures in the range of 0.1 to 2.5 mm with the total pressure at one atmosphere. The products were determined by infrared and ultraviolet spectroscopy and colorimetry. The condensates included primary and secondary nitro compounds and alkyl nitrates. Strong hydroxyl and single bond carbon to oxygen stretching vibrations indicate the presence of either nitroalcohols or simple aliphatic alcohols formed through oxidation reactions. Carbonyl stretching frequencies observable in some of the reactions support the conclusion that a portion of the reactants disappear by oxidation rather than by nitration processes. The available results do not indicate the presence of appreciable amounts of tert.-nitro compounds, conjugated nitro-olefins, or gem-dinitro-alkanes. The reactivities of the olefins with the nitrogen oxides are in the decreasing order: 2-methyl-butadiene-1,3, 2-methylbutene-2, pentene-1. 20 references.

  18. Phase Transitions in Sexual Populations Subject to Stabilizing Selection

    Rogers, A.

    2003-04-01

    We show that a simple model of an evolving sexual population, which dates back to some of the earliest work in theoretical population genetics, exhibits an unexpected and previously unobserved phase transition between ordered and disordered states. This behavior is not present in populations evolving asexually without recombination and is thus important in any comparison of sexual and asexual populations. In order to calculate the details of the phase transition, we use techniques from statistical physics. We introduce the correlation of the population as the order parameter of the system and use maximum entropy inference to find the state of the population at any time.

  19. Modeling and Stability Assessment of Single-Phase Grid Synchronization Techniques

    Golestan, Saeed; Guerrero, Josep M.; Vasquez, Juan

    2018-01-01

    (GSTs) is of vital importance. This task is most often based on obtaining a linear time-invariant (LTI) model for the GST and applying standard stability tests to it. Another option is modeling and dynamics/stability assessment of GSTs in the linear time-periodic (LTP) framework, which has received...... a very little attention. In this letter, the procedure of deriving the LTP model for single-phase GSTs is first demonstrated. The accuracy of the LTP model in predicting the GST dynamic behavior and stability is then evaluated and compared with that of the LTI one. Two well-known single-phase GSTs, i...

  20. Stability of equilibria for a two-phase osmosis model

    Lippoth, F.; Prokert, G.

    2012-01-01

    For a two-phase moving boundary problem modelling the motion of a semipermeable membrane by osmotic pressure and surface tension, we prove that the manifold of equilibria is locally exponentially attractive. Our method relies on maximal regularity results for parabolic systems with relaxation type

  1. Diffusion Concept in Phase Stability of High Temperature Composites

    Zhao, Ji-Cheng

    2003-01-01

    A high-efficiency "diffusion multiple" approach was employed to determine the phase diagrams of nine ternary systems Nb-Ti-Si, Nb-Cr- Si, Nb-Cr-Ti, Ti-Cr-Si, Nb-Si-Al, Nb-Cr-Al, Nb-Ti-Al, Ti-Si-Al, and Ti-Cr-Al...

  2. Homolytic iodination and nitration of some benzene derivatives in the gas phase

    Vonk, W.F.M.

    1980-01-01

    Two gas phase reactions, involving the iodination and nitration of benzene derivatives, are described. The experimental techniques of the apparatus and the methods used are outlined. The kinetic H/D isotope effect in the gas phase nitration of benzene with NO 2 is determined. (C.F.)

  3. A direct comparison of protein structure in the gas and solution phase: the Trp-cage

    Patriksson, Alexandra; Adams, Christopher M; Kjeldsen, Frank

    2007-01-01

    Molecular dynamics simulations of zwitterions of the Trp-cage protein in the gas phase show that the most stable ion in vacuo has preserved the charge locations acquired in solution. A direct comparison of the gas and solution-phase structures reveals that, despite the similarity in charge location...

  4. Phase stability of high manganese austenitic steels for cryogenic applications

    Couturier, K

    2000-01-01

    The aim of this work is to study the austenitic stability against a' martensitic transformation of three non-magnetic austenitic steels : a new stainless steel X2CrMnNiMoN 19-12-11-1 grade, a traditional X8CrMnNiN 19-11-6 grade and a high manganese X8MnCrNi 28-7-1 grade. Measurements of relative magnetic susceptibility at room temperature are performed on strained tensile specimens at 4.2 K. A special extensometer for high precision strain measurements at low temperature has been developed at CERN to test specimens up to various levels of plastic strain. Moreover, the high precision strain recording of the extensometer enables a detailed study of the serrated yield phenomena associated with 4.2 K tensile testing and their influence on the evolution of magnetic susceptibility. The results show that high Mn contents increase the stability of the austenitic structure against a' martensitic transformation, while keeping high strength at cryogenic temperature. Moreover, proper elaboration through primary and possi...

  5. Phase stability and decomposition processes in Ti-Al based intermetallics

    Nakai, Kiyomichi [Department of Materials Science and Engineering, Faculty of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama 790 (Japan); Ono, Toshiaki [Department of Materials Science and Engineering, Faculty of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama 790 (Japan); Ohtsubo, Hiroyuki [Department of Materials Science and Engineering, Faculty of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama 790 (Japan); Ohmori, Yasuya [Department of Materials Science and Engineering, Faculty of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama 790 (Japan)

    1995-02-28

    The high-temperature phase equilibria and the phase decomposition of {alpha} and {beta} phases were studied by crystallographic analysis of the solidification microstructures of Ti-48at.%Al and Ti-48at.%Al-2at.%X (X=Mn, Cr, Mo) alloys. The effects on the phase stability of Zr and O atoms penetrating from the specimen surface were also examined for Ti-48at.%Al and Ti-50at.%Al alloys. The third elements Cr and Mo shift the {beta} phase region to higher Al concentrations, and the {beta} phase is ordered to the {beta}{sub 2} phase. The Zr and O atoms stabilize {beta} and {alpha} phases respectively. In the Zr-stabilized {beta} phase, {alpha}{sub 2} laths form with accompanying surface relief, and stacking faults which relax the elastic strain owing to lattice deformation are introduced after formation of {alpha}{sub 2} order domains. Thus shear is thought to operate after the phase transition from {beta} to {alpha}{sub 2} by short-range diffusion. A similar analysis was conducted for the Ti-Al binary system, and the transformation was interpreted from the CCT diagram constructed qualitatively. ((orig.))

  6. Importance of the gas phase role to the prediction of energetic material behavior: An experimental study

    Ali, A.N.; Son, S.F.; Asay, B.W.; Sander, R.K.

    2005-01-01

    Various thermal (radiative, conductive, and convective) initiation experiments are performed to demonstrate the importance of the gas phase role in combustion modeling of energetic materials (EM). A previously published condensed phase model that includes a predicted critical irradiance above which ignition is not possible is compared to experimental laser ignition results for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 2,4,6-trinitrotoluene (TNT). Experimental results conflict with the predicted critical irradiance concept. The failure of the model is believed to result from a misconception about the role of the gas phase in the ignition process of energetic materials. The model assumes that ignition occurs at the surface and that evolution of gases inhibits ignition. High speed video of laser ignition, oven cook-off and hot wire ignition experiments captures the ignition of HMX and TNT in the gas phase. A laser ignition gap test is performed to further evaluate the effect of gas phase laser absorption and gas phase disruption on the ignition process. Results indicate that gas phase absorption of the laser energy is probably not the primary factor governing the gas phase ignition observations. It is discovered that a critical gap between an HMX pellet and a salt window of 6 mm±0.4 mm exists below which ignition by CO 2 laser is not possible at the tested irradiances of 29 W/cm 2 and 38 W/cm 2 for HMX ignition. These observations demonstrate that a significant disruption of the gas phase, in certain scenarios, will inhibit ignition, independent of any condensed phase processes. These results underscore the importance of gas phase processes and illustrate that conditions can exist where simple condensed phase models are inadequate to accurately predict the behavior of energetic materials

  7. Importance of the gas phase role to the prediction of energetic material behavior: An experimental study

    Ali, A. N.; Son, S. F.; Asay, B. W.; Sander, R. K.

    2005-03-01

    Various thermal (radiative, conductive, and convective) initiation experiments are performed to demonstrate the importance of the gas phase role in combustion modeling of energetic materials (EM). A previously published condensed phase model that includes a predicted critical irradiance above which ignition is not possible is compared to experimental laser ignition results for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 2,4,6-trinitrotoluene (TNT). Experimental results conflict with the predicted critical irradiance concept. The failure of the model is believed to result from a misconception about the role of the gas phase in the ignition process of energetic materials. The model assumes that ignition occurs at the surface and that evolution of gases inhibits ignition. High speed video of laser ignition, oven cook-off and hot wire ignition experiments captures the ignition of HMX and TNT in the gas phase. A laser ignition gap test is performed to further evaluate the effect of gas phase laser absorption and gas phase disruption on the ignition process. Results indicate that gas phase absorption of the laser energy is probably not the primary factor governing the gas phase ignition observations. It is discovered that a critical gap between an HMX pellet and a salt window of 6mm±0.4mm exists below which ignition by CO2 laser is not possible at the tested irradiances of 29W /cm2 and 38W/cm2 for HMX ignition. These observations demonstrate that a significant disruption of the gas phase, in certain scenarios, will inhibit ignition, independent of any condensed phase processes. These results underscore the importance of gas phase processes and illustrate that conditions can exist where simple condensed phase models are inadequate to accurately predict the behavior of energetic materials.

  8. Intrinsic folding of small peptide chains: spectroscopic evidence for the formation of beta-turns in the gas phase.

    Chin, Wutharath; Dognon, Jean-Pierre; Piuzzi, François; Tardivel, Benjamin; Dimicoli, Iliana; Mons, Michel

    2005-01-19

    Laser desorption of model peptides coupled to laser spectroscopic techniques enables the gas-phase observation of genuine secondary structures of biology. Spectroscopic evidence for the formation of beta-turns in gas-phase peptide chains containing glycine and phenylalanine residues establishes the intrinsic stability of these forms and their ability to compete with other stable structures. The precise characterization of local minima on the potential energy surface from IR spectroscopy constitutes an acute assessment for the state-of-the-art quantum mechanical calculations also presented. The observation of different types of beta-turns depending upon the residue order within the sequence is found to be consistent with the residue propensities in beta-turns of proteins, which suggests that the prevalence of glycine in type II and II' turns stems essentially from an energetic origin, already at play under isolated conditions.

  9. The formation of α-phase SnS nanorods by PVP assisted polyol synthesis: Phase stability, micro structure, thermal stability and defects induced energy band transitions

    Baby, Benjamin Hudson; Mohan, D. Bharathi, E-mail: d.bharathimohan@gmail.com

    2017-05-01

    We report the formation of single phase of SnS nanostructure through PVP assisted polyol synthesis by varying the source concentration ratio (Sn:S) from 1:1M to 1:12M. The effect of PVP concentration and reaction medium towards the preparation of SnS nanostructure is systematically studied through confocal Raman spectrometer, X-ray diffraction, thermogravimetry analysis, scanning electron microscope, transmission electron microscopy, X-ray photoelectron spectroscopy, UV–Vis–NIR absorption and fluorescence spectrophotometers. The surface morphology of SnS nanostructure changes from nanorods to spherical shape with increasing PVP concentration from 0.15M to 0.5M. Raman analysis corroborates that Raman active modes of different phases of Sn-S are highly active when Raman excitation energy is slightly greater than the energy band gap of the material. The presence of intrinsic defects and large number of grain boundaries resulted in an improved thermal stability of 20 °C during the phase transition of α-SnS. Band gap calculation from tauc plot showed the direct band gap of 1.5 eV which is attributed to the single phase of SnS, could directly meet the requirement of an absorber layer in thin film solar cells. Finally, we proposed an energy band diagram for as synthesized single phase SnS nanostructure based on the experimental results obtained from optical studies showing the energy transitions attributed to band edge transition and also due to the presence of intrinsic defects. - Highlights: • PVP stabilizes the orthorhombic (α) phase of SnS. • Optical band gap of P type SnS tuned by PVP for photovoltaic applications. • The formation of Sn rich SnS phase is investigated through XPS analysis. • Intrinsic defects enhance the thermal stability of α-SnS. • The feasibility of energy transition liable to point defects is discussed.

  10. Grain size stabilization of tetragonal phase of zirconia in sputtered Zr- O cermet films

    M. S. Hadavi

    2005-06-01

    Full Text Available  In this research, thin films of Zr/ZrO2 composites were deposited by reactive magnetron sputtering technique on Si and fused Silica substrates, and their structures were investigated by XRD method. During the deposition of the cermet layers, a Zr metallic target was sputtered in a gas mixture of Ar and O2. By controlling of O2 flow rate, the different metal volume fractions in the cermet layers were achieved. The optical response of the samples was studied using spectroscopy methods. Also the effect of vacuum annealing on the structures and the optical properties were studied. XRD results indicated that the prepared samples were amorphous and vacuum annealing induced crystallization in the cermet films. This research also showed that without doping, the tetragonal phase of zirconia can be stabilized at a temperature lower than the normal transition temperature. This is “grain size stabilization” and relates to the small size of the crystallites. In order to study the electron diffraction in the selected area patterns (SAD, the samples were analyzed by a high-resolution transmission microscope. The SAD results showed that all of the as prepared samples were amorphous showing evidence of very small Zr crystallites immersed in a dielectric medium.The SAD results are in close agreement with those obtained by XRD analysis.

  11. Gas holdup in a reciprocating plate bioreactor: Non-Newtonian - liquid phase

    Naseva Olivera S.

    2002-01-01

    Full Text Available The gas holdup was studied in non-newtonian liquids in a gas-liquid and gas-liquid-solid reciprocating plate bioreactor. Aqueous solutions of carboxy methyl cellulose (CMC; Lucel, Lučane, Yugoslavia of different degrees of polymerization (PP 200 and PP 1000 and concentration (0,5 and 1%, polypropylene spheres (diameter 8.3 mm; fraction of spheres: 3.8 and 6.6% by volume and air were used as the liquid, solid and gas phase. The gas holdup was found to be dependent on the vibration rate, the superficial gas velocity, volume fraction of solid particles and Theological properties of the liquid ohase. Both in the gas-liquid and gas-liquid-solid systems studied, the gas holdup increased with increasing vibration rate and gas flow rate. The gas holdup was higher in three-phase systems than in two-phase ones under otter operating conditions being the same. Generally the gas holdup increased with increasing the volume fraction of solid particles, due to the dispersion action of the solid particles, and decreased with increasing non-Newtonian behaviour (decreasing flow index i.e. with increasing degree of polymerization and solution concentration of CMC applied, as a result of gas bubble coalescence.

  12. Carrier-envelope phase stabilization and control using a transmission grating compressor and an AOPDF.

    Canova, Lorenzo; Chen, Xiaowei; Trisorio, Alexandre; Jullien, Aurélie; Assion, Andreas; Tempea, Gabriel; Forget, Nicolas; Oksenhendler, Thomas; Lopez-Martens, Rodrigo

    2009-05-01

    Carrier-envelope phase (CEP) stabilization of a femtosecond chirped-pulse amplification system featuring a compact transmission grating compressor is demonstrated. The system includes two amplification stages and routinely generates phase-stable (approximately 250 mrad rms) 2 mJ, 25 fs pulses at 1 kHz. Minimizing the optical pathway in the compressor enables phase stabilization without feedback control of the grating separation or beam pointing. We also demonstrate for the first time to the best of our knowledge, out-of-loop control of the CEP using an acousto-optic programmable dispersive filter inside the laser chain.

  13. Acid-base equilibrium. A thermodynamic study of formation and stability of the Bi-2223 phase

    Xi, Z.; Zhou, L.

    1993-01-01

    A general acid-base equilibrium theory was proposed to explain the formation and stability of the Bi-2223 phase based on the Lewis acid base theory and principle of metallurgical physical chemistry. The acid-base nature of oxide was defined according to the electrostatic force between cation and oxygen anion. A series of experimental facts were systematically explained based on the theory: substitution of Bi for Ca in the Pb-free 2223 phase, and the effect of substitution of the high-valent cation for Bi 3+ ; oxygen-pressure atmosphere, and the heat-schocking technique on the formation and stability of the 2223 phase. 14 refs., 2 tabs

  14. Phase stability limit of c-BN under hydrostatic and non-hydrostatic pressure conditions

    Xiao, Jianwei; Du, Jinglian; Wen, Bin; Zhang, Xiangyi; Melnik, Roderick; Kawazoe, Yoshiyuki

    2014-01-01

    Phase stability limit of cubic boron nitride (c-BN) has been investigated by the crystal structure search technique. It indicated that this limit is ∼1000 GPa at hydrostatic pressure condition. Above this pressure, c-BN turns into a metastable phase with respect to rocksalt type boron nitride (rs-BN). However, rs-BN cannot be retained at 0 GPa owing to its instability at pressure below 250 GPa. For non-hydrostatic pressure conditions, the phase stability limit of c-BN is substantially lower than that under hydrostatic pressure conditions and it is also dramatically different for other pressure mode

  15. Direct NMR Monitoring of Phase Separation Behavior of Highly Supersaturated Nifedipine Solution Stabilized with Hypromellose Derivatives.

    Ueda, Keisuke; Higashi, Kenjirou; Moribe, Kunikazu

    2017-07-03

    We investigated the phase separation behavior and maintenance mechanism of the supersaturated state of poorly water-soluble nifedipine (NIF) in hypromellose (HPMC) derivative solutions. Highly supersaturated NIF formed NIF-rich nanodroplets through phase separation from aqueous solution containing HPMC derivative. Dissolvable NIF concentration in the bulk water phase was limited by the phase separation of NIF from the aqueous solution. HPMC derivatives stabilized the NIF-rich nanodroplets and maintained the NIF supersaturation with phase-separated NIF for several hours. The size of the NIF-rich phase was different depending on the HPMC derivatives dissolved in aqueous solution, although the droplet size had no correlation with the time for which NIF supersaturation was maintained without NIF crystallization. HPMC acetate and HPMC acetate succinate (HPMC-AS) effectively maintained the NIF supersaturation containing phase-separated NIF compared with HPMC. Furthermore, HPMC-AS stabilized NIF supersaturation more effectively in acidic conditions. Solution 1 H NMR measurements of NIF-supersaturated solution revealed that HPMC derivatives distributed into the NIF-rich phase during the phase separation of NIF from the aqueous solution. The hydrophobicity of HPMC derivative strongly affected its distribution into the NIF-rich phase. Moreover, the distribution of HPMC-AS into the NIF-rich phase was promoted at lower pH due to the lower aqueous solubility of HPMC-AS. The distribution of a large amount of HPMC derivatives into NIF-rich phase induced the strong inhibition of NIF crystallization from the NIF-rich phase. Polymer distribution into the drug-rich phase directly monitored by solution NMR technique can be a useful index for the stabilization efficiency of drug-supersaturated solution containing a drug-rich phase.

  16. Dynamic Stability Study of Static Gas Bearing for Small Cryogenic Turbo-Expander

    Wang Xuemin; Zhuang Ming; Zhang Qiyong; Li Shanshan; Fu Bao

    2011-01-01

    An experimental method is presented to analyze the dynamic stability of the gas bearing for small cryogenic turbo-expanders. The rotation imbalance response and the shape of the rotor orbit were obtained for different speeds up to 110,000 rpm, and the critical speed of the rotor-bearing system was determined by a Bode diagram. An FFT signal analytical method was applied to identify the resonance frequency, and the waterfall plot was presented. During the whole process of speeding up to the designed speed of 110,000 rpm, the rotor-bearing works stably with no whirl instability, which is validated in a waterfall plot. Also, the tested rotor-bearing model was analyzed theoretically. It was proved that the experimental results were highly consistent with those of theoretical calculations. Thus the experimental method proposed here to analyze the dynamic stability of the gas bearing is feasible. (fusion engineering)

  17. Sumoylation Promotes the Stability of the DNA Sensor cGAS and the Adaptor STING to Regulate the Kinetics of Response to DNA Virus.

    Hu, Ming-Ming; Yang, Qing; Xie, Xue-Qin; Liao, Chen-Yang; Lin, Heng; Liu, Tian-Tian; Yin, Lei; Shu, Hong-Bing

    2016-09-20

    During viral infection, sensing of cytosolic DNA by the cyclic GMP-AMP synthase (cGAS) activates the adaptor protein STING and triggers an antiviral response. Little is known about the mechanisms that determine the kinetics of activation and deactivation of the cGAS-STING pathway, ensuring effective but controlled innate antiviral responses. Here we found that the ubiquitin ligase Trim38 targets cGas for sumoylation in uninfected cells and during the early phase of viral infection. Sumoylation of cGas prevented its polyubiquitination and degradation. Trim38 also sumoylated Sting during the early phase of viral infection, promoting both Sting activation and protein stability. In the late phase of infection, cGas and Sting were desumoylated by Senp2 and subsequently degraded via proteasomal and chaperone-mediated autophagy pathways, respectively. Our findings reveal an essential role for Trim38 in the innate immune response to DNA virus and provide insight into the mechanisms that ensure optimal activation and deactivation of the cGAS-STING pathway. Copyright © 2016 Elsevier Inc. All rights reserved.

  18. Electronic structure and phase stability during martensitic transformation in Al-doped ZrCu intermetallics

    Qiu Feng; Shen Ping; Liu Tao; Lin Qiaoli; Jiang Qichuan

    2010-01-01

    Martensitic transformation, phase stability and electronic structure of Al-doped ZrCu intermetallics were investigated by experiments and first-principles calculations using the pseudopotentials plane wave method. The formation energy calculations indicate that the stability of the ZrCu phase increases with the increasing Al content. Al plays a decisive role in controlling the formation and microstructures of the martensite phases in Zr-Cu-Al alloys. The total energy difference between ZrCu (B2) austenite and ZrCu martensite plays an important role in the martensitic transformation. The phase stability is dependent on its electronic structure. The densities of states (DOS) of the intermetallics were discussed in detail.

  19. Size and temperature dependent stability and phase transformation in single-crystal zirconium nanowire

    Sutrakar, Vijay Kumar; Roy Mahapatra, D.

    2011-01-01

    A novel size dependent FCC (face-centered-cubic) → HCP (hexagonally-closed-pack) phase transformation and stability of an initial FCC zirconium nanowire are studied. FCC zirconium nanowires with cross-sectional dimensions 20 Å, in which surface stresses are not enough to drive the phase transformation, show meta-stability. In such a case, an external kinetic energy in the form of thermal heating is required to overcome the energy barrier and achieve FCC → HCP phase transformation. The FCC-HCP transition pathway is also studied using Nudged Elastic Band (NEB) method, to further confirm the size dependent stability/metastability of Zr nanowires. We also show size dependent critical temperature, which is required for complete phase transformation of a metastable-FCC nanowire.

  20. Two Phase Flow Stability in the HTR-10 Steam Generator

    居怀明; 左开芬; 刘志勇; 徐元辉

    2001-01-01

    A 10 MW High Temperature Gas Cooled Reactor (HTR-10) designed bythe Institute of Nuclear Energy Technology (INET) is now being constructed. The steam generator (SG) in the HTR-10 is one of the most important components for reactor safety. The thermal-hydraulic performance of the SG was investigated. A full scale HTR-10 Steam Generator Two Tube Engineering Model Test Facility (SGTM-10) was installed and tested at INET. This paper describes the SGTM-10 thermal hydraulic experimental system in detail. The SGTM-10 simulates the actual thermal and structural parameters of the HTR-10. The SGTM-10 includes three separated loops: the primary helium loop, the secondary water loop, and the tertiary cooling water loop. Two parallel tubes are arranged in the test assembly. The main experimental equipment is shown in the paper. Expermental results are given illustrating the effects of the outlet pressures, the heating power, and the inlet subcooling.

  1. CHAOS. III. GAS-PHASE ABUNDANCES IN NGC 5457

    Croxall, Kevin V.; Pogge, Richard W. [Department of Astronomy, The Ohio State University, 140 West 18th Avenue, Columbus, OH 43210 (United States); Berg, Danielle A. [Center for Gravitation, Cosmology and Astrophysics, Department of Physics, University of Wisconsin Milwaukee, 1900 East Kenwood Boulevard, Milwaukee, WI 53211 (United States); Skillman, Evan D. [Minnesota Institute for Astrophysics, University of Minnesota, 116 Church Street SE, Minneapolis, MN 55455 (United States); Moustakas, John [Department of Physics and Astronomy, Siena College, 515 Loudon Road, Loudonville, NY 12211 (United States)

    2016-10-10

    We present Large Binocular Telescope observations of 109 H ii regions in NGC 5457 (M101) obtained with the Multi-Object Double Spectrograph. We have robust measurements of one or more temperature-sensitive auroral emission lines for 74 H ii regions, permitting the measurement of “direct” gas-phase abundances. Comparing the temperatures derived from the different ionic species, we find: (1) strong correlations of T [N ii] with T [S iii] and T [O iii], consistent with little or no intrinsic scatter; (2) a correlation of T [S iii] with T [O iii], but with significant intrinsic dispersion; (3) overall agreement between T [N ii], T [S ii], and T [O ii], as expected, but with significant outliers; (4) the correlations of T [N ii] with T [S iii] and T [O iii] match the predictions of photoionization modeling while the correlation of T [S iii] with T [O iii] is offset from the prediction of photoionization modeling. Based on these observations, which include significantly more observations of lower excitation H ii regions, missing in many analyses, we inspect the commonly used ionization correction factors (ICFs) for unobserved ionic species and propose new empirical ICFs for S and Ar. We have discovered an unexpected population of H ii regions with a significant offset to low values in Ne/O, which defies explanation. We derive radial gradients in O/H and N/O which agree with previous studies. Our large observational database allows us to examine the dispersion in abundances, and we find intrinsic dispersions of 0.074 ± 0.009 in O/H and 0.095 ± 0.009 in N/O (at a given radius). We stress that this measurement of the intrinsic dispersion comes exclusively from direct abundance measurements of H ii regions in NGC 5457.

  2. The properties of gas-phase multiply charged ions

    Newson, K.A.

    1999-01-01

    This thesis presents the results of a series of experiments investigating the reactivity of gas-phase molecular dications with various neutral collision partners, at collision energies between 3 and 13 eV in the laboratory frame, using a crossed-beam apparatus. The experiment involves the measurement of product ion intensities, which are determined by means of time-of-flight mass spectrometry. The experimental apparatus and methodology, together with the areas of theory important to ion chemistry, are described in the thesis. The product ions of greatest interest are those ions formed by bond-forming (chemical) reactivity. The relative intensities of such product ions, and those ions formed as a result of electron-transfer reactions, are, when recorded as a function of the collision energy, a powerful probe of the reaction mechanism. Additionally, where appropriate, the reactions are examined for isotope effects by using the isotopic analogue of the neutral collision partner. The results of the experiments indicate that no intermolecular isotope effects are present in the reactions of CF 2 2+ and CF 3 2+ with H 2 and D 2 neutral targets. In addition, the observed collision energy dependence is symptomatic of the absence of a barrier to reaction. These observations suggest that the reactions proceed via an impulsive direct reaction mechanism. Such a conclusion casts doubt on the applicability of the Landau-Zener model of H - /D - transfer reactivity. Other results presented in this thesis include the first reported observation of a bond-forming reaction between a molecular dication (CF2 2+ ) and a polyatomic neutral species (NH 3 ). Finally, the branching ratio of the products of bond-forming reactions between CF 2 2+ with HD indicates the operation of a strong intramolecular isotope effect, favouring the formation of the deuterated product. This observation points to a reaction mechanism in which the bond-formation is preceded by electron-transfer. (author)

  3. Dissociative electron attachment to the gas-phase nucleobase hypoxanthine

    Dawley, M. Michele [Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Tanzer, Katrin; Denifl, Stephan, E-mail: Stephan.Denifl@uibk.ac.at, E-mail: Sylwia.Ptasinska.1@nd.edu [Institut für Ionenphysik und Angewandte Physik, and Center for Molecular Biosciences Innsbruck (CMBI), Leopold-Franzens Universität Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria); Carmichael, Ian [Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Ptasińska, Sylwia, E-mail: Stephan.Denifl@uibk.ac.at, E-mail: Sylwia.Ptasinska.1@nd.edu [Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Department of Physics, University of Notre Dame, Notre Dame, Indiana 46556 (United States)

    2015-06-07

    We present high-resolution measurements of the dissociative electron attachment (DEA) to isolated gas-phase hypoxanthine (C{sub 5}H{sub 4}N{sub 4}O, Hyp), a tRNA purine base. The anion mass spectra and individual ion efficiency curves from Hyp were measured as a function of electron energy below 9 eV. The mass spectra at 1 and 6 eV exhibit the highest anion yields, indicating possible common precursor ions that decay into the detectable anionic fragments. The (Hyp − H) anion (C{sub 5}H{sub 3}N{sub 4}O{sup −}) exhibits a sharp resonant peak at 1 eV, which we tentatively assign to a dipole-bound state of the keto-N1H,N9H tautomer in which dehydrogenation occurs at either the N1 or N9 position based upon our quantum chemical computations (B3LYP/6-311+G(d,p) and U(MP2-aug-cc-pVDZ+)) and prior studies with adenine. This closed-shell dehydrogenated anion is the dominant fragment formed upon electron attachment, as with other nucleobases. Seven other anions were also observed including (Hyp − NH){sup −}, C{sub 4}H{sub 3}N{sub 4}{sup −}/C{sub 4}HN{sub 3}O{sup −}, C{sub 4}H{sub 2}N{sub 3}{sup −}, C{sub 3}NO{sup −}/HC(HCN)CN{sup −}, OCN{sup −}, CN{sup −}, and O{sup −}. Most of these anions exhibit broad but weak resonances between 4 and 8 eV similar to many analogous anions from adenine. The DEA to Hyp involves significant fragmentation, which is relevant to understanding radiation damage of biomolecules.

  4. Kinetics of the gas-phase tritium oxidation reaction

    Failor, R.A.

    1989-01-01

    Homogeneous gas-phase kinetics of tritium oxidation (2T 2 + O 2 →2T 2 O) have been studied with a model that accounts explicitly for radiolysis of the major species and the kinetics of the subsequent reactions of ionic, excited-state, and neutral species. Results from model calculations are given for 10 -4 -1.0 mol% T 2 in O 2 (298 K, 1 atm). As the reaction evolves three different mechanisms control T 2 O production, each with a different overall rate expression and a different order with respect to the T 2 concentration. The effects of self-radiolysis of pure T 2 on the tritium oxidation reaction were calculated. Tritium atoms, the primary product of T 2 self-radiolysis, altered the oxidation mechanism only during the first few seconds following the initiation of the T 2 -O 2 reaction. Ozone, an important intermediate in T 2 oxidation, was monitored in-situ by U.V. absorption spectroscopy for 0.01-1.0 mol% T 2 an 1 atm O 2 . The shape of the experimental ozone time profile agreed with the model predictions. As predicted, the measured initial rate of ozone production varied linearly with initial T 2 concentration ([T 2 ] 0.6 o ), but at an initial rate one-third the predicted value. The steady-state ozone concentration ([O 3 ]ss) was predicted to be dependent on [T 2 ] 0.3 o , but the measured value was [T 2 ] 0.6 o , resulting in four times higher [O 3 ]ss than predicted for a 1.0% T 2 -O 2 mixture. Adding H 2 to the T 2 -O 2 mixture, to provide insight into the differences between the radiolytic and chemical behavior of the tritium, produced a greater decrease in [O 3 ]ss than predicted. Adjusting the reaction cell surface-to-volume ratio showed implications of minor surface removal of ozone

  5. Dissociative attachment reactions of electrons with gas phase superacids

    Liu, X.

    1992-01-01

    Using the flowing afterglow Langmuir probe (FALP) technique, dissociative attachment coefficients β for reactions of electrons with gas phase superacids HCo(PF 3 ) 4 , HRh(PF 3 ) 4 and carbonyl hydride complexes HMn(CO) 5 , HRe(CO) 5 have been determined under thermal conditions over the approximate temperature range 300∼550 K. The superacids react relatively slowly ( max ) with free electrons in a thermal plasma, and the values of β obtained this far do not show a correlation between acidity and β. The pioneer researchers in this field had speculated that any superacid would be a rapid attacher of electrons; it was found that this speculation is not true in general. The product distribution of electron attachment reaction to HCo(PF 3 ) 4 was found to be independent of temperature even though the β[HCo(PF 3 ) 4 ] increases with temperature. This proposes that the electron attachment process occurs well before the excited complex dissociates. In addition, the activation energy of HCo(PF 3 ) 4 for electron attachment has been derived from the Arrhenius plots. The carbonyl hydride complexes, HMn(CO) 5 and HRe(CO) 5 , react relatively rapidly (>1/4 of β max ) with free electrons in thermal plasma. This indicates that these reactions cannot be significantly endothermic. Observation of rapid attachment for these non-superacids shows that the Mn-CO and Re-CO bonds are weaker than the Mn-H and Re-H bonds, respectively. Comparisons between the carbonyl and trifluorophosphine cases implies that fast electron capture is related more to the CO ligand than to the transition-metal species

  6. Gas-Phase Combustion Synthesis of Aluminum Nitride Powder

    Axelbaum, R. L.; Lottes, C. R.; Huertas, J. I.; Rosen, L. J.

    1996-01-01

    Due to its combined properties of high electrical resistivity and high thermal conductivity aluminum nitride (AlN) is a highly desirable material for electronics applications. Methods are being sought for synthesis of unagglomerated, nanometer-sized powders of this material, prepared in such a way that they can be consolidated into solid compacts having minimal oxygen content. A procedure for synthesizing these powders through gas-phase combustion is described. This novel approach involves reacting AlCl3, NH3, and Na vapors. Equilibrium thermodynamic calculations show that 100% yields can be obtained for these reactants with the products being AlN, NaCl, and H2. The NaCl by-product is used to coat the AlN particles in situ. The coating allows for control of AlN agglomeration and protects the powders from hydrolysis during post-flame handling. On the basis of thermodynamic and kinetic considerations, two different approaches were employed to produce the powder, in co-flow diffusion flame configurations. In the first approach, the three reactants were supplied in separate streams. In the second, the AlCl3 and NH3 were premixed with HCl and then reacted with Na vapor. X-ray diffraction (XRD) spectra of as-produced powders show only NaCl for the first case and NaCl and AlN for the second. After annealing at 775 C tinder dynamic vacuum, the salt was removed and XRD spectra of powders from both approaches show only AlN. Aluminum metal was also produced in the co-flow flame by reacting AlCl3 with Na. XRD spectra of as-produced powders show the products to be only NaCl and elemental aluminum.

  7. Numerical modeling of turbulent evaporating gas-droplet two-phase flows in an afterburner diffusor of turbo-fan jet engines

    Zhou, Lixing; Zhang, Jian [Qinghua Univ., Beijing (China)

    1990-11-01

    Two-dimensional turbulent evaporating gas-droplet two-phase flows in an afterburner diffusor of turbofan jet engines are simulated here by a k-epsilon turbulence model and a particle trajectory model. Comparison of predicted gas velocity and temperature distributions with experimental results for the cases without liquid spray shows good agreement. Gas-droplet two-phase flow predictions give plausible droplet trajectories, fuel-vapor concentration distribution, gas-phase velocity and temperature field in the presence of liquid droplets. One run of computation with this method is made for a particular afterburner. The results indicate that the location of the atomizers is not favorable to flame stabilization and combustion efficiency. The proposed numerical modeling can also be adopted for optimization design and performance evaluation of afterburner combustors of turbofan jet engines. 7 refs.

  8. Polymer Stabilization of Liquid-Crystal Blue Phase II toward Photonic Crystals.

    Jo, Seong-Yong; Jeon, Sung-Wook; Kim, Byeong-Cheon; Bae, Jae-Hyun; Araoka, Fumito; Choi, Suk-Won

    2017-03-15

    The temperature ranges where a pure simple-cubic blue phase (BPII) emerges are quite narrow compared to the body-centered-cubic BP (BPI) such that the polymer stabilization of BPII is much more difficult. Hence, a polymer-stabilized BPII possessing a wide temperature range has been scarcely reported. Here, we fabricate a polymer-stabilized BPII over a temperature range of 50 °C including room temperature. The fabricated polymer-stabilized BPII is confirmed via polarized optical microscopy, Bragg reflection, and Kossel diagram observations. Furthermore, we demonstrate reflective BP liquid-crystal devices utilizing the reflectance-voltage performance as a potential application of the polymer-stabilized BPII. Our work demonstrates the possibility of practical application of the polymer-stabilized BPII to photonic crystals.

  9. Finite size effects in liquid-gas phase transition of asymmetric nuclear matter

    Pawlowski, P.

    2001-01-01

    Full text: Since the nuclear equation of state has been studied in astrophysical context as an element of neutron star or super-nova theories - a call for an evidence was produced in experimental nuclear physics. Heavy-ion collisions became a tool of study on thermodynamic properties of nuclear matter. A particular interest has been inspired here by critical behavior of nuclear systems, as a phase transition of liquid-gas type. A lot of efforts was put to obtain an experimental evidence of such a phenomenon in heavy-ion collisions. With the use of radioactive beams and high performance identification systems in a near future it will be possible to extend experimental investigation to asymmetric nuclear systems, where neutron-to-proton ratio is far from the stability line. This experimental development needs a corresponding extension of theoretical studies. To obtain a complete theory of the liquid-gas phase transition in small nuclear systems, produced in violent heavy-ion collisions, one should take into account two facts. First, that the nuclear matter forming nuclei is composed of protons and neutrons; this complicates the formalism of phase transitions because one has to deal with two separate, proton and neutron, densities and chemical potentials. The second and more important is that the surface effects are very strong in a system composed of a few hundreds of nucleons. This point is especially difficult to hold, because surface becomes an additional, independent state parameter, depending strongly on the geometrical configuration of the system, and introducing a non-local term in the equation of state. In this presentation we follow the recent calculation by Lee and Mekjian on the finite-size effects in small (A = 10 2 -10 3 ) asymmetric nuclear systems. A zero-range isospin-dependent Skyrme force is used to obtain a density and isospin dependent potential. The potential is then completed by additional terms giving contributions from surface and Coulomb

  10. Gas-phase structure and fragmentation pathways of singly protonated peptides with N-terminal arginine.

    Bythell, Benjamin J; Csonka, István P; Suhai, Sándor; Barofsky, Douglas F; Paizs, Béla

    2010-11-25

    The gas-phase structures and fragmentation pathways of the singly protonated peptide arginylglycylaspartic acid (RGD) are investigated by means of collision-induced-dissociation (CID) and detailed molecular mechanics and density functional theory (DFT) calculations. It is demonstrated that despite the ionizing proton being strongly sequestered at the guanidine group, protonated RGD can easily be fragmented on charge directed fragmentation pathways. This is due to facile mobilization of the C-terminal or aspartic acid COOH protons thereby generating salt-bridge (SB) stabilized structures. These SB intermediates can directly fragment to generate b(2) ions or facilely rearrange to form anhydrides from which both b(2) and b(2)+H(2)O fragments can be formed. The salt-bridge stabilized and anhydride transition structures (TSs) necessary to form b(2) and b(2)+H(2)O are much lower in energy than their traditional charge solvated counterparts. These mechanisms provide compelling evidence of the role of SB and anhydride structures in protonated peptide fragmentation which complements and supports our recent findings for tryptic systems (Bythell, B. J.; Suhai, S.; Somogyi, A.; Paizs, B. J. Am. Chem. Soc. 2009, 131, 14057-14065.). In addition to these findings we also report on the mechanisms for the formation of the b(1) ion, neutral loss (H(2)O, NH(3), guanidine) fragment ions, and the d(3) ion.

  11. Continuous fixed-bed gas-phase hydroformylation using supported ionic liquid-phase (SILP) Rh catalysts

    Riisager, Anders; Wasserscheid, Peter; Van Hal, R.

    2003-01-01

    Continuous flow gas-phase hydroformylation of propene was performed using novel supported ionic liquid-phase (SILP) catalysts containing immobilized Rh complexes of the biphosphine ligand sulfoxantphos in the ionic liquids 1-n-butyl-3-methylimidazolium hexafluorophosphate and halogen-free 1-n-butyl...

  12. arXiv Simulation of gain stability of THGEM gas-avalanche particle detectors

    Correia, P.M.M.; Azevedo, C.D.R.; Breskin, A.; Bressler, S.; Oliveira, C.A.B.; Silva, A.L.M.; Veenhof, R.; Veloso, J.F.C.A.

    2018-01-19

    Charging-up processes affecting gain stability in Thick Gas Electron Multipliers (THGEM) were studied with a dedicated simulation toolkit. Integrated with Garfield++, it provides an effective platform for systematic phenomenological studies of charging-up processes in MPGD detectors. We describe the simulation tool and the fine-tuning of the step-size required for the algorithm convergence, in relation to physical parameters. Simulation results of gain stability over time in THGEM detectors are presented, exploring the role of electrode-thickness and applied voltage on its evolution. The results show that the total amount of irradiated charge through electrode's hole needed for reaching gain stabilization is in the range of tens to hundreds of pC, depending on the detector geometry and operational voltage. These results are in agreement with experimental observations presented previously.

  13. Asymptotic theory of neutral stability of the Couette flow of a vibrationally excited gas

    Grigor'ev, Yu. N.; Ershov, I. V.

    2017-01-01

    An asymptotic theory of the neutral stability curve for a supersonic plane Couette flow of a vibrationally excited gas is developed. The initial mathematical model consists of equations of two-temperature viscous gas dynamics, which are used to derive a spectral problem for a linear system of eighth-order ordinary differential equations within the framework of the classical linear stability theory. Unified transformations of the system for all shear flows are performed in accordance with the classical Lin scheme. The problem is reduced to an algebraic secular equation with separation into the "inviscid" and "viscous" parts, which is solved numerically. It is shown that the thus-calculated neutral stability curves agree well with the previously obtained results of the direct numerical solution of the original spectral problem. In particular, the critical Reynolds number increases with excitation enhancement, and the neutral stability curve is shifted toward the domain of higher wave numbers. This is also confirmed by means of solving an asymptotic equation for the critical Reynolds number at the Mach number M ≤ 4.

  14. Engineered Materials for Advanced Gas Turbine Engine, Phase I

    National Aeronautics and Space Administration — This project will develop innovative composite powders and composites that will surpass the properties of currently identified materials for advanced gas turbine...

  15. Gas phase adsorption technology for nitrogen isotope separation and its feasibility for highly enriched nitrogen gas production

    Inoue, Masaki; Asaga, Takeo

    2000-04-01

    Highly enriched nitrogen-15 gas is favorable to reduce radioactive carbon-14 production in reactor. The cost of highly enriched nitrogen-15 gas in mass production is one of the most important subject in nitride fuel option in 'Feasibility Study for FBR and Related Fuel Cycle'. In this work gas phase adsorption technology was verified to be applicable for nitrogen isotope separation and feasible to produce highly enriched nitrogen-15 gas in commercial. Nitrogen isotopes were separated while ammonia gas flows through sodium-A type zeolite column using pressure swing adsorption process. The isotopic ratio of eight samples were measured by high resolution mass spectrometry and Fourier transform microwave spectroscopy. Gas phase adsorption technology was verified to be applicable for nitrogen isotope separation, since the isotopic ratio of nitrogen-15 and nitrogen-14 in samples were more than six times as high as in natural. The cost of highly enriched nitrogen-15 gas in mass production were estimated by the factor method. It revealed that highly enriched nitrogen-15 gas could be supplied in a few hundred yen per gram in mass production. (author)

  16. Size effect for phase stability on Au–Cd–Ag of phase boundary composition

    Matsuoka, Yuki; Suzuki, Keiko; Kudo, Natsuko

    2013-01-01

    Highlights: ► Size and heat treatment effects of phase boundary composition Au 52.5−x Cd 47.5 Ag x were studied. ► The transformation temperature T 0 increases by quench. It is investigated that disordering of atoms and lattice defects make β-phase unstable. ► Downsizing sample decreased T 0 in β-phase, showed a tendency of increase in coexistent phase. ► Downsizing is supposed to make difficult nucleation for martensitic transformation. ► Increasing of surface ratio by downsizing of powder sample is estimated to make easy to transform from unstable β-phase to martensite phase. -- Abstract: Size and heat treatment effects on martensitic transformation of phase boundary composition Au 52.5−x Cd 47.5 Ag x were studied. Au 52.5−x Cd 47.5 Ag x has coexistent phase of β-phase and α-phase of fcc structure at x > 42 at.%. The transformation temperature T 0 decreases as Au is substituted on Ag over phase boundary. T 0 increases by quench in both case of bulk and powder. This behavior is investigated that disordering of atoms and lattice defects make β-phase (L2 1 , B2 or bcc) unstable. Size effect was also inspected. Downsizing sample decreased the transformation temperature in β-phase. On the contrary, the transformation temperature of the coexistent phase showed a tendency of increase. Downsizing is supposed to make difficult nucleation for martensitic transformation because of reduction of β-phase ordered volume. Increasing of surface (disorder structure) ratio by downsizing of powder sample is estimated to make easy to transform from unstable β-phase to martensite phase

  17. Possibility of determining the concentration of the gas phase in a two-phase stream by an acoustical method

    Butenko, A N; Potapenko, A E; Chistyakov, E S

    1976-01-01

    The method is based on the recording of the amplitude-frequency characteristics of a circular piezoelectric resonator (sensor) during movement of a stream of a two-phase medium. It is shown that the electrical voltage drop across the transducer and the natural oscillating frequency of the transducer depend on the concentration of the gas phase in the two-phase mixture, allowing an instrument to be developed for measurement of this concentration.

  18. Stability of test environments for performance evaluation of materials for the modular high-temperature gas-cooled reactor

    Edgemon, G.L.; Wilson, D.F.; Bell, G.E.C.

    1993-01-01

    Stability of the primary helium-based coolant test gas for use in performance ests of materials for the Modular High-Temperature Gas-Cooled Reactor (MHTGR) was determined. Results of tests of the initial gas chemistry from General Atomics (GA) at elevated temperatures, and the associated results predicted by the SOLGASMIX trademark modelling package are presented. Results indicated that for this gas composition and at flow rates obtainable in the test loop, 466 ± 24C is the highest temperature that can be maintained without significantly altering the specified gas chemistry. Four additional gas chemistries were modelled using SOLGASMIX trademark

  19. Two-phase gas bubble-liquid boundary layer flow along vertical and inclined surfaces

    Cheung, F.B.; Epstein, M.

    1985-01-01

    The behavior of a two-phase gas bubble-liquid boundary layer along vertical and inclined porous surfaces with uniform gas injection is investigated experimentally and analytically. Using argon gas and water as the working fluids, a photographical study of the two-phase boundary layer flow has been performed for various angles of inclination ranging from 45 0 to 135 0 and gas injection rates ranging from 0.01 to 0.1 m/s. An integral method has been employed to solve the system of equations governing the two-phase motion. The effects of the gas injection rate and the angle of inclination on the growth of the boundary layer have been determined. The predicted boundary layer thickness is found to be in good agreement with the experimental results. The calculated axial liquid velocity and the void fraction in the two-phase region are also presented along with the observed flow behavior

  20. Evolution of the Normal State of a Strongly Interacting Fermi Gas from a Pseudogap Phase to a Molecular Bose Gas

    Perali, A.; Palestini, F.; Pieri, P.; Strinati, G. C.; Stewart, J. T.; Gaebler, J. P.; Drake, T. E.; Jin, D. S.

    2011-01-01

    Wave-vector resolved radio frequency spectroscopy data for an ultracold trapped Fermi gas are reported for several couplings at T c , and extensively analyzed in terms of a pairing-fluctuation theory. We map the evolution of a strongly interacting Fermi gas from the pseudogap phase into a fully gapped molecular Bose gas as a function of the interaction strength, which is marked by a rapid disappearance of a remnant Fermi surface in the single-particle dispersion. We also show that our theory of a pseudogap phase is consistent with a recent experimental observation as well as with quantum Monte Carlo data of thermodynamic quantities of a unitary Fermi gas above T c .

  1. Z phase stability in AISI 316LN + Nb austenitic steels during creep at 650 C

    Vodarek, Vlastimil [Technical Univ. Ostrava (Czech Republic)

    2010-07-01

    The creep resistance of austenitic CrNi(Mo) steels strongly depends on microstructural stability during creep exposure. Nitrogen additions to CrNi(Mo) austenitic steels can significantly improve the creep strength. One of the most successful methods of improving the long-term creep resistance of austenitic steels is based on increasing the extent of precipitation strengthening during creep exposure. The role of precipitates in the achievements of good creep properties has been extensively studied for a long time. Although many minor phases are now well documented there are still contractions and missing thermodynamic data about some minor phases. This contribution deals with results of microstructural studies on the minor phase evolution in wrought AISI 316LN niobium stabilised steels during long-term creep exposure at 650 C. Microstructural investigations were carried out on specimens taken from both heads and gauge lengths of ruptured test-pieces by means of optical metallography, transmission and scanning electron microscopy. The attention has been paid to evaluation of thermodynamic and dimensional stability of Z phase and other nitrogen bearing minor phases. Only two nitrogen-bearing minor phases formed in the casts investigated: Z phase and M{sub 6}X. The dimensional stability of Z phase particles was very high. (orig.)

  2. Evaluation of the stability and precipitation behavior of G phase in dual-phase stainless steels by thermodynamic calculations

    Horiuchi, Toshiaki; Ito, Shota; Minamoto, Satoshi

    2017-01-01

    Degradation of dual-phase stainless steel in nuclear power plants due to thermal ageing during long-term use is an important issue. This occurs mainly due to breakdown of the ferrite phase as a result of spinodal decomposition, followed by clustering or precipitation of the intermetallic G-phase compound, 'Ni 16 Si 7 Mn 6 ', which consists primarily of Ni, Si and Mn. The degradation mechanism is complicated because both radiation effects and thermal ageing simultaneously occur. However, only limited information is available concerning this phenomenon, and particularly regarding precipitation of the G phase. In the present study, thermodynamic equilibrium calculations were carried out for two types of dual-phase stainless steel (weld metal and cast steel) to evaluate the influence of the temperature and constituent elements on the stability of the G phase. The calculations were performed using the Thermo-Calc program with the thermodynamic database, FE-DATA (ver. 6). Precipitation of the G phase was investigated using the TC-PRISMA precipitation module together with the MOB2 diffusion database. It was found that for both types of steel, the G phase contains not only Ni, Si and Mn, but also small amounts of Fe and Cr. The stability of the G phase is dependent on the Ni, Mn, Cr, Si and Mo content in the original steel, and particularly on that of the latter two elements. Due to its higher Si content, the G phase was shown to be more stable in cast steel than in weld metal. (author)

  3. Stability of phase locking in a ring of unidirectionally coupled oscillators

    Rogge, J A; Aeyels, D

    2004-01-01

    We discuss the dynamic behaviour of a finite group of phase oscillators unidirectionally coupled in a ring. The dynamics are based on the Kuramoto model. In the case of identical oscillators, all phase locking solutions and their stability properties are obtained. For nonidentical oscillators it is proven that there exist phase locking solutions for sufficiently strong coupling. An algorithm to obtain all phase locking solutions is proposed. These solutions can be classified into classes, each with its own stability properties. The stability properties are obtained by means of a novel extension of Gershgorin's theorem. One class of stable solutions has the property that all phase differences between neighbouring cells are contained in (-π/2, π/2). Contrary to intuition, a second class of stable solutions is established with exactly one of the phase differences contained in (π/2, 3π/2). The stability results are extended from sinusoidal interconnections to a class of odd functions. To conclude, a connection with the field of active antenna arrays is made, generalizing some results earlier obtained in this field

  4. Single phase and two phase erosion corrosion in broilers of gas-cooled reactors

    Harrison, G.S.; Fountain, M.J.

    1988-01-01

    Erosion-corrosion is a phenomenon causing metal wastage in a variety of locations in water and water-steam circuits throughout the power generation industry. Erosion-corrosion can occur in a number of regions of the once-through boiler designs used in the later Magnox and AGR type of gas cooled nuclear reactor. This paper will consider two cases of erosion-corrosion damage (single and two phase) in once through boilers of gas cooled reactors and will describe the solutions that have been developed. The single phase problem is associated with erosion-corrosion damage of mild steel downstream of a boiler inlet flow control orifice. With metal loss rates of up to 1 mm/year at 150 deg. C and pH in the range 9.0-9.4 it was found that 5 μg/kg oxygen was sufficient to reduce erosion-corrosion rates to less than 0.02 mm/year. A combined oxygen-ammonia-hydrazine feedwater regime was developed and validated to eliminate oxygen carryover and hence give protection from stress corrosion in the austenitic section of the AGR once through boiler whilst still providing erosion-corrosion control. Two phase erosion-corrosion tube failures have occurred in the evaporator of the mild steel once through boilers of the later Magnox reactors operating at pressures in the range 35-40 bar. Rig studies have shown that amines dosed in the feedwater can provide a significant reduction in metal loss rates and a tube lifetime assessment technique has been developed to predict potential tube failure profiles in a fully operational boiler. The solutions identified for both problems have been successfully implemented and the experience obtained following implementation including any problems or other benefits arising from the introduction of the new regimes will be presented. Methods for monitoring and evaluating the efficiency of the solutions have been developed and the results from these exercises will also be discussed. Consideration will also be given to the similarities in the metal loss

  5. Single phase and two phase erosion corrosion in broilers of gas-cooled reactors

    Harrison, G S; Fountain, M J [Operational Engineering Division (Northern Area), Central Electricity Generating Board, Manchester (United Kingdom)

    1988-07-01

    Erosion-corrosion is a phenomenon causing metal wastage in a variety of locations in water and water-steam circuits throughout the power generation industry. Erosion-corrosion can occur in a number of regions of the once-through boiler designs used in the later Magnox and AGR type of gas cooled nuclear reactor. This paper will consider two cases of erosion-corrosion damage (single and two phase) in once through boilers of gas cooled reactors and will describe the solutions that have been developed. The single phase problem is associated with erosion-corrosion damage of mild steel downstream of a boiler inlet flow control orifice. With metal loss rates of up to 1 mm/year at 150 deg. C and pH in the range 9.0-9.4 it was found that 5 {mu}g/kg oxygen was sufficient to reduce erosion-corrosion rates to less than 0.02 mm/year. A combined oxygen-ammonia-hydrazine feedwater regime was developed and validated to eliminate oxygen carryover and hence give protection from stress corrosion in the austenitic section of the AGR once through boiler whilst still providing erosion-corrosion control. Two phase erosion-corrosion tube failures have occurred in the evaporator of the mild steel once through boilers of the later Magnox reactors operating at pressures in the range 35-40 bar. Rig studies have shown that amines dosed in the feedwater can provide a significant reduction in metal loss rates and a tube lifetime assessment technique has been developed to predict potential tube failure profiles in a fully operational boiler. The solutions identified for both problems have been successfully implemented and the experience obtained following implementation including any problems or other benefits arising from the introduction of the new regimes will be presented. Methods for monitoring and evaluating the efficiency of the solutions have been developed and the results from these exercises will also be discussed. Consideration will also be given to the similarities in the metal loss

  6. Computational stability of the Von Neumann--Richtmyer method for the case of the ideal gas law

    Hicks, D.L.

    1978-07-01

    Two stability concepts are of interest for partial difference equations--one arises in theory--the other in practice. The theoretical kind, referred to here as asymptotic stability, is essentially just asymptotic (as Δt, Δx → 0) boundedness of the discrete solution. The other kind, referred to here as computational stability, is stability for a fixed Δt and Δx--computational instability is indicated in practice by oscillatory behavior of the discrete approximation--in particular, oscillations of period 2Δx. This report is concerned with computational stability. Only approximate stability analyses of the von Neumann-Richtmyer scheme have been done for the case of the ideal gas law. Herein a more rigorous computational stability analysis is sought. The analysis leads to a recommendation for the improvement of the time step restriction in WONDY for the case of the ideal gas law

  7. Detection methods for atoms and radicals in the gas phase

    Hack, W.

    This report lists atoms and free radicals in the gas phase which are of interest for environmental and flame chemistry and have been detected directly. The detection methods which have been used are discussed with respect to their range of application, specificity and sensitivity. In table 1, detection methods for the five atoms of group IV (C, Si, Ge, Sn, Pb) and about 60 radicals containing at least one atom of group IV are summarized (CH, Cd, Cf, CC1, CBr, Cn, Cs, CSe, CH2, CD2, Chf, Cdf, CHC1, CHBr, CF2, CC12, CBr2, CFC1, CFBr, CH3, CD3, CF3, CH2F, CH2C1, CH2Br, CHF2, CHC12, CHBr2, Hco, Fco, CH30, CD30, CH2OH, CH3S, Nco, CH4N, CH302, CF302; C2, C2N, C2H, C20, C2HO, C2H3, C2F3, C2H5, C2HsO, C2H4OH, CH3CO, CD3CO, C2H3O, C2H502, CH3COO2, C2H4N, C2H6N, C3; Si, SiF, SiF2, SiO, SiC, Si2; Ge, GeC, GeO, GeF, GeF2, GeCl2, Sn, SnF, SnO, SnF2, Pb, PbF, PbF2, PbO, PbS). In table 2 detection methods for about 25 other atoms and 60 radicals are listed: (H, D, O, O2, Oh, Od, HO2, DO2, F, Ci, Br, I, Fo, Cio, BrO, Io, FO2, C1O2, Li, Na, K, Rb, Cs, N, N3, Nh, Nd, Nf, Nci, NBr, NH2, ND2, Nhd, Nhf, NF2, NC12, N2H3, No, NO2, NO3, Hno, Dno, P, Ph, Pd, Pf, Pci, PH2, PD2, PF2, Po, As, AsO, AsS, Sb, Bi, S, S2, Sh, Sd, Sf, SF2, So, Hso, Dso, Sn, Se, Te, Se2, SeH, SeD, SeF, SeO, SeS, SeN, TeH, TeO, Bh, BH2, Bo, Bn, B02, Cd, Hg, UF5). The tables also cite some recent kinetic applications of the various methods.

  8. Kohn Anomaly and Phase Stability in Group VB Transition Metals

    Alexander Landa

    2018-03-01

    Full Text Available In the periodic table, only a few pure metals exhibit lattice or magnetic instabilities associated with Fermi surface nesting, the classical examples being α-U and Cr. Whereas α-U displays a strong Kohn anomaly in the phonon spectrum that ultimately leads to the formation of charge density waves (CDWs, Cr is known for its nesting-induced spin density waves (SDWs. Recently, it has become clear that a pronounced Kohn anomaly and the corresponding softening in the elastic constants is also the key factor that controls structural transformations and mechanical properties in compressed group VB metals—materials with relatively high superconducting critical temperatures. This article reviews the current understanding of the structural and mechanical behavior of these metals under pressure with an introduction to the concept of the Kohn anomaly and how it is related to the important concept of Peierls instability. We review both experimental and theoretical results showing different manifestations of the Kohn anomaly in the transverse acoustic phonon mode TA (ξ00 in V, Nb, and Ta. Specifically, in V the anomaly triggers a structural transition to a rhombohedral phase, whereas in Nb and Ta it leads to an anomalous reduction in yield strength.

  9. Thermal stability and primary phase of Al-Ni(Cu)-La amorphous alloys

    Huang Zhenghua; Li Jinfu; Rao Qunli; Zhou Youhe

    2008-01-01

    Thermal stability and primary phase of Al 85+x Ni 9-x La 6 (x = 0-6) and Al 85 Ni 9-x Cu x La 6 (x = 0-9) amorphous alloys were investigated by X-ray diffraction and differential scanning calorimeter. It is revealed that replacing Ni in the Al 85 Ni 9 La 6 alloy by Cu decreases the thermal stability and makes the primary phase change from intermetallic compounds to single fcc-Al as the Cu content reaches and exceeds 4 at.%. When the Ni and La contents are fixed, replacing Al by Cu increases the thermal stability but also promotes the precipitation of single fcc-Al as the primary phase

  10. Simulating the effect of hydrate dissociation on wellhead stability during oil and gas development in deepwater

    Li, Qingchao; Cheng, Yuanfang; Zhang, Huaiwen; Yan, Chuanliang; Liu, Yuwen

    2018-02-01

    It is well known that methane hydrate has been identified as an alternative resource due to its massive reserves and clean property. However, hydrate dissociation during oil and gas development (OGD) process in deep water can affect the stability of subsea equipment and formation. Currently, there is a serious lack of studies over quantitative assessment on the effects of hydrate dissociation on wellhead stability. In order to solve this problem, ABAQUS finite element software was used to develop a model and to evaluate the behavior of wellhead caused by hydrate dissociation. The factors that affect the wellhead stability include dissociation range, depth of hydrate formation and mechanical properties of dissociated hydrate region. Based on these, series of simulations were carried out to determine the wellhead displacement. The results revealed that, continuous dissociation of hydrate in homogeneous and isotropic formations can causes the non-linear increment in vertical displacement of wellhead. The displacement of wellhead showed good agreement with the settlement of overlying formations under the same conditions. In addition, the shallower and thicker hydrate formation can aggravate the influence of hydrate dissociation on the wellhead stability. Further, it was observed that with the declining elastic modulus and Poisson's ratio, the wellhead displacement increases. Hence, these findings not only confirm the effect of hydrate dissociation on the wellhead stability, but also lend support to the actions, such as cooling the drilling fluid, which can reduce the hydrate dissociation range and further make deepwater operations safer and more efficient.

  11. Process Stability of Ultrasonic-Wave-Assisted Gas Metal Arc Welding

    Fan, Chenglei; Xie, Weifeng; Yang, Chunli; Lin, Sanbao; Fan, Yangyang

    2017-10-01

    As a newly developed arc welding method, ultrasonic-wave-assisted arc welding successfully introduced power ultrasound into the arc and weld pool, during which the ultrasonic acts on the top of the arc in the coaxial alignment direction. The advanced process for molten metals can be realized by using an additional ultrasonic field. Compared with the conventional gas metal arc welding (GMAW), the welding arc is compressed, the droplet size is decreased, and the droplet transfer frequency is increased significantly in ultrasonic-wave-assisted GMAW (U-GMAW). However, the stability of the metal transfer has deep influence on the welding quality equally, and the ultrasonic wave effect on the stability of the metal transfer is a phenomenon that is not completely understood. In this article, the stabilities of the short-circuiting transfer process and globular transfer process are studied systematically, and the effect of ultrasonic wave on the metal transfer is analyzed further. The transfer frequency and process stability of the U-GMAW process are much higher than those of the conventional GMAW. Analytical results show that the additional ultrasonic wave is helpful for improving welding stability.

  12. Structure of a swirl-stabilized spray flame by imaging, laser Doppler velocimetry, and phase Doppler anemometry

    Edwards, C. F.; Rudoff, R. C.

    1991-01-01

    Data are presented which describe the mean structure of a steady, swirl-stabilized, kerosene spray flame in the near-injector region of a research furnace. The data presented include ensemble-averaged results of schlieren, luminosity, and extinction imaging, measurement of the gas phase velocity field by laser Doppler velocimetry, and characterization of the condensed phase velocity by phase Doppler anemometry. The results of these studies define six key regions in the flame: the dense spray region; the rich, two-phase, fuel jet; the main air jet; the internal product recirculation zone; the external product recirculation zone; and the gaseous diffusion flame zone. The first five of these regions form a conical mixing layer which prepares the air and fuel for combustion. The air and fuel jets comprise the central portion of this mixing layer and are bounded on either side by the hot product gases of the internal and external recirculation zones. Entrainment of these product gases into the air/fuel streams provides the energy required to evaporate the fuel spray and initiate combustion. Intermittency of the internal recirculation and spray jet flows accounts for unexpected behavior observed in the aerodynamics of the two phases. The data reported herein are part of the database being accumulated on this spray flame for the purpose of detailed comparison with numerical modeling.

  13. Improving the phase stability of the SLAC rf driveline network for SLC operation

    Weaver, J.N.; Hogg, H.A.

    1983-01-01

    Successful operation of the Stanford Linear Collider (SLC) will require greater phase stability from the two-mile long rf drive network than previous linac operation did. This paper discusses four proposed modifications of the present system that should help achieve the general objective to reduce all long term temperature and atmospheric pressure induced phase variations to less than 20 0 at 2856 MHz, so that the phase/amplitude detector subsystems, which will control the network output phases relative to a beam reference, will operate within their most accurate ranges

  14. Investigation of the resistive phase in high power gas switching. Research and development report

    O'Rourke, R.C.

    1977-01-01

    A theoretical study was made of the resistive phase in high pressure gas switching with the regime of interest being (10 to 50) kV from (1J, 10ns, 100KHz) to (100J, 10μs, 1KHz). The resistive phase was examined as a function of applied field, gap spacing, inductance, gas type and pressure, and electrode material. The initiating and quenching phases as regards system performance (e.g., the jitter problem) were examined. The cooling and electrode debris removal effects of the vortex gas flow on the operating characteristics of the system were considered

  15. Ab initio study of effects of substitutional additives on the phase stability of γ-alumina

    Jiang Kaiyun; Music, Denis; Sarakinos, Kostas; Schneider, Jochen M

    2010-01-01

    Using ab initio calculations, we have evaluated two structural descriptions of γ-Al 2 O 3 , spinel and tetragonal hausmannite, and explored the relative stability of γ-Al 2 O 3 with respect to α-Al 2 O 3 with 2.5 at.% of Si, Cr, Ti, Sc, and Y additives to identify alloying element induced electronic structure changes that impede the γ to α transition. The total energy calculations indicate that Si stabilizes γ-Al 2 O 3 , while Cr stabilizes α-Al 2 O 3 . As Si is added, a bond length increase in α-Al 2 O 3 is observed, while strong and short Si-O bonds are formed in γ-Al 2 O 3 , consequently stabilizing this phase. On the other hand, Cr additions induce a smaller bond length increase in α-Al 2 O 3 than in γ-Al 2 O 3 , therefore stabilizing the α-phase. The bulk moduli of γ-Al 2 O 3 with these additives show no significant changes. The phase stability and elastic property data discussed here underline the application potential of Si alloyed γ-Al 2 O 3 for applications at elevated temperatures. Furthermore it is evident that the tetragonal hausmannite structure is a suitable description for γ-Al 2 O 3 .

  16. Polymer confined in membrane phases: influences on stability, structure and dynamics

    Javierre, Isabelle

    1999-01-01

    The addition of a hydrosoluble polymer to the different structures obtained with mixtures of water/surfactant/alcohol/oil alters the thermodynamic stability of microemulsion and lamellar phases. The reverse sponge phase disappears while one can observe the occurrence of a new phase, labelled L5, at intermediate polymer concentration. In polymer-'doped' solvent lamellar phase, the polymer induces an attractive contribution to the interaction between bilayers while in polymer-'doped' bilayers lamellar phase, the polymer increases the flexibility. The L5 phase exhibits symmetric sponge properties and furthermore presents very strong symmetry fluctuations. The relaxation of these fluctuations were experimentally evidenced for the first time. This unusual dynamic behaviour was confronted to the one of other sponge phases, in a large range of concentrations. (author) [fr

  17. Gas phase toluene isopropylation over high silica mordenite

    Administrator

    reaction on medium pore HZSM-5 zeolites differing in crystal size and ... effect of various parameters on the yield and cy- ... toluene. (DIPT) + water (cymene isopropylation) .... tain the stability of the mordenite catalysts. .... From the slope of the.

  18. Laser-to-RF phase detection with femtosecond precision for remote reference phase stabilization in particle accelerators

    Lamb, Thorsten

    2017-05-15

    The operation of modern free-electron lasers (FELs) requires the synchronization of different accelerator subsystems with femtosecond precision. A pulsed optical synchronization system is for this reason operated at the Free-Electron Laser in Hamburg (FLASH) and it is under construction for the upcoming European X-ray Free-Electron Laser (XFEL). Laser pulses from the optical master oscillator are transmitted by timing stabilized optical fiberlinks to dedicated end stations along the accelerator. Devices which cannot operate with optical synchronization signals are instead conventionally synchronized with radio frequency (RF) reference signals. These signals are distributed in the accelerator by coaxial cables. Especially the low -level radio frequency (LLRF) system requires RF reference signals with femtosecond stability in order to meet nowadays femtosecond demands. Due to cable drifts and the length of the accelerators, this level of stability cannot be provided by conventional RF transport. A laser-to-RF (L2RF) phase detector has been invented, which allows to measure with femtosecond precision the relative phase between a phase stable optical pulse train from an optical fiberlink and an RF signal. The L2RF phase detector is based on an integrated MACH-ZEHNDER modulator (MZM) in which the phase error between both signals is encoded in an amplitude modulation of the optical pulse train. Different configurations, based on single output and dual output MZMs have been evaluated for different operation scenarios. A full mathematical representation of the chosen configuration has been derived. The impact of multiple error sources has been investigated. It has been proven that most error sources have only second or higher order influence on the detection principle which is a significant advantage over existing schemes. The invented L2RF phase detector is for example balanced and in its working point insensitive to power variations of the optical reference pulse train

  19. Laser-to-RF phase detection with femtosecond precision for remote reference phase stabilization in particle accelerators

    Lamb, Thorsten

    2017-05-01

    The operation of modern free-electron lasers (FELs) requires the synchronization of different accelerator subsystems with femtosecond precision. A pulsed optical synchronization system is for this reason operated at the Free-Electron Laser in Hamburg (FLASH) and it is under construction for the upcoming European X-ray Free-Electron Laser (XFEL). Laser pulses from the optical master oscillator are transmitted by timing stabilized optical fiberlinks to dedicated end stations along the accelerator. Devices which cannot operate with optical synchronization signals are instead conventionally synchronized with radio frequency (RF) reference signals. These signals are distributed in the accelerator by coaxial cables. Especially the low -level radio frequency (LLRF) system requires RF reference signals with femtosecond stability in order to meet nowadays femtosecond demands. Due to cable drifts and the length of the accelerators, this level of stability cannot be provided by conventional RF transport. A laser-to-RF (L2RF) phase detector has been invented, which allows to measure with femtosecond precision the relative phase between a phase stable optical pulse train from an optical fiberlink and an RF signal. The L2RF phase detector is based on an integrated MACH-ZEHNDER modulator (MZM) in which the phase error between both signals is encoded in an amplitude modulation of the optical pulse train. Different configurations, based on single output and dual output MZMs have been evaluated for different operation scenarios. A full mathematical representation of the chosen configuration has been derived. The impact of multiple error sources has been investigated. It has been proven that most error sources have only second or higher order influence on the detection principle which is a significant advantage over existing schemes. The invented L2RF phase detector is for example balanced and in its working point insensitive to power variations of the optical reference pulse train

  20. Demonstration of Femtosecond-Phase Stabilization in 2 km Optical Fiber

    Staples, J.W.; Wilcox, R.; Byrd, J.M.

    2007-01-01

    Long-term phase drifts of less than a femtosecond per hour have been demonstrated in a 2 km length of single-mode optical fiber, stabilized interferometrically at 1530 nm. Recent improvements include a wide-band phase detector that reduces the possibility of fringe jumping due to fast external perturbations of the fiber and locking of the master CW laser wavelength to an atomic absorption line. Mode-locked lasers may be synchronized using two wavelengths of the comb, multiplexed over one fiber, each wavelength individually interferometrically stabilized

  1. Structure, elastic properties and phase stability of Cr1-xAlxN

    Mayrhofer, P.H.; Music, D.; Reeswinkel, Th.; Fuss, H.-G.; Schneider, J.M.

    2008-01-01

    The effect of composition and metal sublattice population on the phase stability, structure and elastic properties of cubic (c), hexagonal (h) and orthorhombic spin-polarized Cr 1-x Al x N was studied using ab initio calculations. Excellent correlation between ab initio and experimentally obtained lattice parameters and elastic constants was obtained. The energy of formation suggests that the cubic phase can be stabilized for x in the range 0.48-0.75, depending on the metal sublattice population. The broad range of x, which is also observed in experiments, can be understood by considering the Al distribution induced changes in the configurational contribution to the total energy

  2. Two-phase flow stability structure in a natural circulation system

    Zhou, Zhiwei [Nuclear Engineering Laboratory Zurich (Switzerland)

    1995-09-01

    The present study reports a numerical analysis of two-phase flow stability structures in a natural circulation system with two parallel, heated channels. The numerical model is derived, based on the Galerkin moving nodal method. This analysis is related to some design options applicable to integral heating reactors with a slightly-boiling operation mode, and is also of general interest to similar facilities. The options include: (1) Symmetric heating and throttling; (2) Asymmetric heating and symmetric throttling; (3) Asymmetric heating and throttling. The oscillation modes for these variants are discussed. Comparisons with the data from the INET two-phase flow stability experiment have qualitatively validated the present analysis.

  3. Hot Gas TVC For Planetary Ascent Vehicle, Phase I

    National Aeronautics and Space Administration — A Mars ascent vehicle (MAV) uses solid rocket motors to propel soil samples into orbit, but the motors cannot provide steering. Cold gas thrusters are used for...

  4. Advanced On Board Inert Gas Generation System (OBBIGS), Phase II

    National Aeronautics and Space Administration — Valcor Engineering Corporation proposes to develop an advanced On Board Inert Gas Generation System, OBIGGS, for aircraft fuel tank inerting to prevent hazardous...

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

    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.

  6. Structure and phase stability of a Pu-0.32 wt% Ga alloy

    Wheeler, D.W., E-mail: David.Wheeler@awe.co.uk; Ennaceur, S.M.; Matthews, M.B.; Roussel, P.; Bayer, P.D.

    2016-08-01

    In plutonium-gallium (Pu-Ga) alloys that have a Ga content of 0.3–0.4 wt%, their readiness to transform to α′ renders them of particular interest in efforts to understand the tenuous nature of δ phase stability. The present study is a comprehensive examination of the structure and phase stability of a cast Pu-0.32 wt% Ga alloy, the Ga content being close to the minimum amount needed to retain the δ phase to ambient temperature. The alloy was characterised in both the as-cast condition as well as following a homogenising heat treatment. The 250-h heat treatment at 450 °C was shown to achieve an apparently stable δ-Pu phase. However, the stability of the δ-Pu phase was shown to be marginal: partial transformation to α′-Pu was observed when the alloy was subjected to hydrostatic compression. Similar transformation was also apparent during metallographic preparation as well as during hardness indentation. The results provide new understanding of the nature of δ phase stability. - Highlights: • New insights into the delta phase stability of a Pu-0.32 wt% Ga alloy. • Density and DSC of as-cast alloy both show α-Pu contents of approximately 30%. • The heat-treated alloy has a largely δ-Pu structure at ambient temperature. • Heat-treated alloy susceptible to δ → α transformation during hardness indentation.

  7. Stability of interbed for salt cavern gas storage in solution mining considering cusp displacement catastrophe theory

    Le Yu

    2015-03-01

    Full Text Available Cusp displacement catastrophe theory can be introduced to propose a new method about instability failure of the interbed for gas storage cavern in bedded salt in solution mining. We can calculate initial fracture drawing pace of this interbed to obtain 2D and 3D gas storage shapes at this time. Moreover, Stability evaluation of strength reduction finite element method (FEM based on this catastrophe theory can used to evaluate this interbed stability after initial fracture. A specific example is simulated to obtain the influence of the interbed depth, cavern internal pressure, and cavern building time on stability safety factor (SSF. The results indicate: the value of SSF will be lower with the increase of cavern building time in solution mining and the increase of interbed depth and also this value remains a rise with the increase of cavern internal pressure Especially, we can conclude that the second-fracture of the interbed may take place when this pressure is lower than 6 MPa or after 6 days later of the interbed after initial fracture. According to above analysis, some effective measures, namely elevating the tube up to the top of the interbed, or changing the circulation of in-and-out lines, can be introduced to avoid the negative effects when the second-fracture of the interbed may occur.

  8. Structural Stability and Performance of Noble Metal-Free SnO2-Based Gas Sensors

    Antonio Tricoli

    2012-05-01

    Full Text Available The structural stability of pure SnO2 nanoparticles and highly sensitive SnO2-SiO2 nanocomposites (0–15 SiO2 wt% has been investigated for conditions relevant to their utilization as chemoresistive gas sensors. Thermal stabilization by SiO2 co-synthesis has been investigated at up to 600 °C determining regimes of crystal size stability as a function of SiO2-content. For operation up to 400 °C, thermally stable crystal sizes of ca. 24 and 11 nm were identified for SnO2 nanoparticles and 1.4 wt% SnO2-SiO2 nanocomposites, respectively. The effect of crystal growth during operation (TO = 320 °C on the sensor response to ethanol has been reported, revealing possible long-term destabilization mechanisms. In particular, crystal growth and sintering-neck formation were discussed with respect to their potential to change the sensor response and calibration. Furthermore, the effect of SiO2 cosynthesis on the cross-sensitivity to humidity of these noble metal-free SnO2-based gas sensors was assessed.

  9. Stability and electronic structure of carbon capsules with superior gas storage properties: A theoretical study

    Manna, Arun K.; Pati, Swapan K.

    2013-01-01

    Highlights: • Stability and electronic structure of various carbon capsules are studied. • Effects of capsule’s sizes on electronic and optical properties are explored. • Changes in cohesive and formation energy and electronic gap are discussed. • Capsule’s gas storage propensity is addressed using DFT and ab initio MD. • Capsule’s optical absorptions are discussed with and without stored gas molecules. - Abstract: Structures, electronic and optical properties of carbon nanocapsules of varying sizes (length and diameter) are studied using first-principles density functional theory. Based on calculated cohesive energy, formation energy, electronic gap and extent of orbital delocalization, we examine structural stability and changes in low-energy physics of these carbon capsules. We find that both cohesive and formation energy decrease with increase in capsule’s sizes, indicating their greater structural rigidity and favorable formation feasibility. The electronic gap also decreases with increase in capsule’s sizes due to the larger electronic delocalization. The simulated optical absorption spectra show lowering of low-energy peak positions with increase in the capsule’s dimensions, consistent with the reduction in electronic gap. Additionally, we also provide an estimate of gas storage capacity for the larger carbon capsule (C 460 ) considered. We find 7.69 wt.% and 28.08 wt.% storage propensity for hydrogen and carbon dioxide gases, respectively, which clearly suggests their potential use as light storage materials

  10. Correlation between active layer thickness and ambient gas stability in IGZO thin-film transistors

    Gao, Xu; Mao, Bao-Hua; Wang, Sui-Dong; Lin, Meng-Fang; Shimizu, Maki; Mitoma, Nobuhiko; Kizu, Takio; Ou-Yang, Wei; Tsukagoshi, Kazuhito; Nabatame, Toshihide; Liu, Zhi

    2017-01-01

    Decreasing the active layer thickness has been recently reported as an alternative way to achieve fully depleted oxide thin-film transistors for the realization of low-voltage operations. However, the correlation between the active layer thickness and device resistivity to environmental changes is still unclear, which is important for the optimized design of oxide thin-film transistors. In this work, the ambient gas stability of IGZO thin-film transistors is found to be strongly correlated to the IGZO thickness. The TFT with the thinnest IGZO layer shows the highest intrinsic electron mobility in a vacuum, which is greatly reduced after exposure to O 2 /air. The device with a thick IGZO layer shows similar electron mobility in O 2 /air, whereas the mobility variation measured in the vacuum is absent. The thickness dependent ambient gas stability is attributed to a high-mobility region in the IGZO surface vicinity with less sputtering-induced damage, which will become electron depleted in O 2 /air due to the electron transfer to adsorbed gas molecules. The O 2 adsorption and deduced IGZO surface band bending is demonstrated by the ambient-pressure x-ray photoemission spectroscopy results. (paper)

  11. Local gas- and liquid-phase measurements for air-water two-phase flows in a rectangular channel

    Zhou, X.; Sun, X.; Williams, M.; Fu, Y.; Liu, Y.

    2014-01-01

    Local gas- and liquid-phase measurements of various gas-liquid two-phase flows, including bubbly, cap-bubbly, slug, and churn-turbulent flows, were performed in an acrylic vertical channel with a rectangular cross section of 30 mm x 10 mm and height of 3.0 m. All the measurements were carried out at three measurement elevations along the flow channel, with z/D h = 9, 72, and 136, respectively, to study the flow development. The gas-phase velocity, void fraction, and bubble number frequency were measured using a double-sensor conductivity probe. A high-speed imaging system was utilized to perform the flow regime visualization and to provide additional quantitative information of the two-phase flow structure. An image processing scheme was developed to obtain the gas-phase velocity, void fraction, Sauter mean diameter, bubble number density, and interfacial area concentration. The liquid-phase velocity and turbulence measurements were conducted using a particle image velocimetry-planar laser-induced fluorescence (PIV-PLIF) system, which enables whole-field and high-resolution data acquisition. An optical phase separation method, which uses fluorescent particles and optical filtration technique, is adopted to extract the velocity information of the liquid phase. An image pre-processing scheme is imposed on the raw PIV images acquired to remove noises due to the presence of bubble residuals and optically distorted particles in the images captured by the PIV-PLIF system. Due to the better light access and less bubble distortion in the narrow rectangular channel, the PIV-PLIF system were able to perform reasonably well in flows of even higher void fractions as compared to the situations with circular pipe test sections. The flow conditions being studied covered various flow regime transitions, void fractions, and liquid-phase flow Reynolds numbers. The obtained experimental data can also be used to validate two-phase CFD results. (author)

  12. Simultaneous solution algorithms for Eulerian-Eulerian gas-solid flow models: Stability analysis and convergence behaviour of a point and a plane solver

    Wilde, Juray de; Vierendeels, Jan; Heynderickx, Geraldine J.; Marin, Guy B.

    2005-01-01

    Simultaneous solution algorithms for Eulerian-Eulerian gas-solid flow models are presented and their stability analyzed. The integration algorithms are based on dual-time stepping with fourth-order Runge-Kutta in pseudo-time. The domain is solved point or plane wise. The discretization of the inviscid terms is based on a low-Mach limit of the multi-phase preconditioned advection upstream splitting method (MP-AUSMP). The numerical stability of the simultaneous solution algorithms is analyzed in 2D with the Fourier method. Stability results are compared with the convergence behaviour of 3D riser simulations. The impact of the grid aspect ratio, preconditioning, artificial dissipation, and the treatment of the source terms is investigated. A particular advantage of the simultaneous solution algorithms is that they allow a fully implicit treatment of the source terms which are of crucial importance for the Eulerian-Eulerian gas-solid flow models and their solution. The numerical stability of the optimal simultaneous solution algorithm is analyzed for different solids volume fractions and gas-solid slip velocities. Furthermore, the effect of the grid resolution on the convergence behaviour and the simulation results is investigated. Finally, simulations of the bottom zone of a pilot-scale riser with a side solids inlet are experimentally validated

  13. Stability of uranium(VI) doped CSH phases in high saline water

    Wolter, Jan-Martin; Schmeide, Katja [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes

    2017-06-01

    To evaluate the long-term stability of U(VI) doped calcium silicate hydrate (CSH) phases at high saline conditions, leaching experiments with NaCl, NaCl/Na{sub 2}SO{sub 4} and NaCl/NaHCO{sub 3} containing solutions were performed. Time-resolved laser-induced fluorescence spectroscopy (TRLFS), infrared spectroscopy (IR) and X-ray powder diffraction (XRD) were applied to study the U(VI) binding onto the CSH phases and to get a deeper understanding of structural changes due to leaching. Results indicate that neither NaCl nor Na{sub 2}SO{sub 4} affect the structural stability of CSH phases and their retention potential for U(VI). However, carbonate containing solutions lead to a decomposition of CSH phases and thus, to a release of incorporated uranium.

  14. Enabling universal memory by overcoming the contradictory speed and stability nature of phase-change materials.

    Wang, Weijie; Loke, Desmond; Shi, Luping; Zhao, Rong; Yang, Hongxin; Law, Leong-Tat; Ng, Lung-Tat; Lim, Kian-Guan; Yeo, Yee-Chia; Chong, Tow-Chong; Lacaita, Andrea L

    2012-01-01

    The quest for universal memory is driving the rapid development of memories with superior all-round capabilities in non-volatility, high speed, high endurance and low power. Phase-change materials are highly promising in this respect. However, their contradictory speed and stability properties present a key challenge towards this ambition. We reveal that as the device size decreases, the phase-change mechanism changes from the material inherent crystallization mechanism (either nucleation- or growth-dominated), to the hetero-crystallization mechanism, which resulted in a significant increase in PCRAM speeds. Reducing the grain size can further increase the speed of phase-change. Such grain size effect on speed becomes increasingly significant at smaller device sizes. Together with the nano-thermal and electrical effects, fast phase-change, good stability and high endurance can be achieved. These findings lead to a feasible solution to achieve a universal memory.

  15. Crystal-liquid-gas phase transitions and thermodynamic similarity

    Skripov, Vladimir P; Schmelzer, Jurn W P

    2006-01-01

    Professor Skripov obtained worldwide recognition with his monograph ""Metastable liquids"", published in English by Wiley & Sons. Based upon this work and another monograph published only in Russia, this book investigates the behavior of melting line and the properties of the coexisting crystal and liquid phase of simple substances across a wide range of pressures, including metastable states of the coexisting phases. The authors derive new relations for the thermodynamic similarity for liquid-vapour phase transition, as well as describing solid-liquid, liquid-vapor and liquid-liquid phase tra

  16. Void fraction fluctuations in two-phase gas-liquid flow

    Ulbrich, R.

    1987-01-01

    Designs of the apparatus in which two-phase gas-liquid flow occurs are usually based on the mean value of parameters such as pressure drop and void fraction. The flow of two-phase mixtures generally presents a very complicated flow structure, both in terms of the unsteady formation on the interfacial area and in terms of the fluctuations of the velocity, pressure and other variables within the flow. When the gas void fraction is near 0 or 1 / bubble or dispersed flow regimes / then oscillations of void fraction are very small. The intermittent flow such as plug and slug/ froth is characterized by alternately flow portions of liquid and gas. It influences the change of void fractions in time. The results of experimental research of gas void fraction fluctuations in two-phase adiabatic gas-liquid flow in a vertical pipe are presented

  17. Two-phase gas bubble-liquid boundary layer flow along vertical and inclined surfaces

    Cheung, F.B.; Epstein, M.

    1985-01-01

    The behavior of a two-phase gas bubble liquid boundary layer along vertical and inclined porous surfaces with uniform gas injection is investigated experimentally and analytically. Using argon gas and water as the working fluids, a photographical study of the two-phase boundary layer flow has been performed for various angles of inclination ranging from 45 0 to 135 0 and gas injection rates ranging from 0.01 to 0.1 m/s. An integral method has been employed to solve the system of equations governing the two-phase motion. The effects of the gas injection rate and the angle of inclination on the growth of the boundary layer have been determined

  18. Stability of Phase Relationships While Coordinating Arm Reaches with Whole Body Motion.

    Romy S Bakker

    Full Text Available The human movement repertoire is characterized by the smooth coordination of several body parts, including arm movements and whole body motion. The neural control of this coordination is quite complex because the various body parts have their own kinematic and dynamic properties. Behavioral inferences about the neural solution to the coordination problem could be obtained by examining the emerging phase relationship and its stability. Here, we studied the phase relationships that characterize the coordination of arm-reaching movements with passively-induced whole-body motion. Participants were laterally translated using a vestibular chair that oscillated at a fixed frequency of 0.83 Hz. They were instructed to reach between two targets that were aligned either parallel or orthogonal to the whole body motion. During the first cycles of body motion, a metronome entrained either an in-phase or an anti-phase relationship between hand and body motion, which was released at later cycles to test phase stability. Results suggest that inertial forces play an important role when coordinating reaches with cyclic whole-body motion. For parallel reaches, we found a stable in-phase and an unstable anti-phase relationship. When the latter was imposed, it readily transitioned or drifted back toward an in-phase relationship at cycles without metronomic entrainment. For orthogonal reaches, we did not find a clear difference in stability between in-phase and anti-phase relationships. Computer simulations further show that cost models that minimize energy expenditure (i.e. net torques or endpoint variance of the reach cannot fully explain the observed coordination patterns. We discuss how predictive control and impedance control processes could be considered important mechanisms underlying the rhythmic coordination of arm reaches and body motion.

  19. Optical processes in the performance and recovery of gas-phase switches

    Gundersen, M.

    1982-01-01

    In this paper several optical processes that may be used to affect gas-phase switch performance and operation are discussed, and approaches using a laser to increase recovery rates of switches are presented. In the latter the laser is used during the recovery phase rather than the conductive or closure phase. This papper suggests that it should be possible to use a low-power laser (e.g., one that is technologically feasible to use as part of a switch) to assist in opening the switch by quenching excited atomic and/or molecular species. The application of laser-induced energy extraction to gas-phase switches is also discussed

  20. Enhanced Membrane System for Recovery of Water from Gas-Liquid Mixtures, Phase I

    National Aeronautics and Space Administration — Gas-Liquid separation is an acute microgravity problem. Existing devices use centrifugal motion on microporous membranes to separate the two phases. Centrifugal...

  1. Infrared spectroscopy of gas-phase clusters using a free-electron laser

    Heijnsbergen, D. van; Helden, G. von; Meijer, G.

    2002-01-01

    Most clusters produced in the gas phase, especially those containing metals, remain largely uncharaterized, among these are transition metal - carbide, -oxide and -nitride clusters. A method for recording IR spectra of strongly bound gas-phase clusters is presented. It is based on a free-electron laser called Felix, characterized by wide wavelength tuning range, covering almost the full 'molecular finger print' region, high power and fluence which make it suited to excite gas-phase species i.e. gas -phase clusters. Neutral clusters were generated by laser vaporization technique, ions that were created after the interaction with the free-electron laser were analyzed in a flight mass spectrometer. Experiments were run with titanium carbide clusters and their IR spectra given. It was shown that this method is suited to strongly bound clusters with low ionization energies, a condition met for many pure metal clusters and metal compound clusters. (nevyjel)

  2. Gas-phase water-mediated equilibrium between methylglyoxal and its geminal diol

    Axson, Jessica L.; Takahashi, Kaito; De Haan, David O.; Vaida, Veronica

    2010-01-01

    In aqueous solution, aldehydes, and to a lesser extent ketones, hydrate to form geminal diols. We investigate the hydration of methylglyoxal (MG) in the gas phase, a process not previously considered to occur in water-restricted environments. In this study, we spectroscopically identified methylglyoxal diol (MGD) and obtained the gas-phase partial pressures of MG and MGD. These results, in conjunction with the relative humidity, were used to obtain the equilibrium constant, KP, for the water-mediated hydration of MG in the gas phase. The Gibbs free energy for this process, ΔG°, obtained as a result, suggests a larger than expected gas-phase diol concentration. This may have significant implications for understanding the role of organics in atmospheric chemistry. PMID:20142510

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

    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

  4. Experimental and CFD investigation of gas phase freeboard combustion

    Andersen, Jimmy

    Reliable and accurate modeling capabilities for combustion systems are valuable tools for optimization of the combustion process. This work concerns primary precautions for reducing NO emissions, thereby abating the detrimental effects known as “acid rain”, and minimizing cost for flue gas...... treatment. The aim of this project is to provide validation data for Computational Fluid Dynamic (CFD) models relevant for grate firing combustion conditions. CFD modeling is a mathematical tool capable of predicting fluid flow, mixing and chemical reaction with thermal conversion and transport. Prediction......, but under well-defined conditions. Comprehensive experimental data for velocity field, temperatures, and gas composition are obtained from a 50 kW axisymmetric non-swirling natural gas fired combustion setup under two different settings. Ammonia is added to the combustion setup in order to simulate fuel...

  5. An atmospheric pressure flow reactor: Gas phase kinetics and mechanism in tropospheric conditions without wall effects

    Koontz, Steven L.; Davis, Dennis D.; Hansen, Merrill

    1988-01-01

    A new type of gas phase flow reactor, designed to permit the study of gas phase reactions near 1 atm of pressure, is described. A general solution to the flow/diffusion/reaction equations describing reactor performance under pseudo-first-order kinetic conditions is presented along with a discussion of critical reactor parameters and reactor limitations. The results of numerical simulations of the reactions of ozone with monomethylhydrazine and hydrazine are discussed, and performance data from a prototype flow reactor are presented.

  6. Defect formation in fluoropolymer films at their condensation from a gas phase

    Luchnikov, P. A.

    2018-01-01

    The questions of radiation defects, factors of influence of electronic high-frequency discharge plasma components on the molecular structure and properties of the fluoropolymer vacuum films synthesized on a substrate from a gas phase are considered. It is established that at sedimentation of fluoropolymer coverings from a gas phase in high-frequency discharge plasma in films there are radiation defects in molecular and supramolecular structure because of the influence of active plasma components which significantly influence their main properties.

  7. Ultrafast electronic relaxation of excited state vitamin B12 in the gas phase

    Shafizadeh, Niloufar; Poisson, Lionel; Soep, Benoit

    2008-01-01

    The time evolution of electronically excited vitamin B 12 (cyanocobalamin) has been observed for the first time in the gas phase. It reveals an ultrafast decay to a state corresponding to metal excitation. This decay is interpreted as resulting from a ring to metal electron transfer. This opens the observation of the excited state of other complex biomimetic systems in the gas phase, the key to the characterisation of their complex evolution through excited electronic states

  8. Two-phase xenon detector with gas amplification and electroluminescent signal detection

    Akimov, D.Yu.; Burenkov, A.A.; Grishkin, Yu.L.; Kovalenko, A.G.; Lebedenko, V.N.; Stekhanov, V.N.

    2008-01-01

    An optical technique for detecting ionization electrons produced during ionization of the liquid phase has been experimentally tested in two-phase (liquid-gas) xenon. The effects of gas and electroluminescent amplifications at the wire anode are simultaneously used for detection. This method allows construction of a supersensitive detector of small ionization signals-down to those corresponding to the detection of single electrons [ru

  9. A new method for determining gas phase heat of formation of aromatic energetic compounds

    Keshavarz, Mohammad H. [Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr P. O. Box 83145/115 (Iran); Tehrani, Masoud K. [Department of Physics, Malek-ashtar University of Technology, Shahin-shahr P. O. Box 83145/115 (Iran)

    2007-04-15

    A new correlation is introduced for desk calculation of gas phase heat of formation of aromatic energetic compounds that contain the elements of carbon, hydrogen, nitrogen and oxygen. Predicted gas phase heats of formation for 26 energetic compounds have a root mean square of deviation from experiment of 20.67 kJ/mol, which is in good agreement with respect to measured values of oxygen-lean and oxygen-rich aromatic energetic compounds. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

  10. Molecular structure determination of cyclootane by ab initio and electron diffraction methods in the gas phase

    De Almeida, Wagner B.

    2000-01-01

    The determination of the molecular structure of molecules is of fundamental importance in chemistry. X-rays and electron diffraction methods constitute in important tools for the elucidation of the molecular structure of systems in the solid state and gas phase, respectively. The use of quantum mechanical molecular orbital ab initio methods offer an alternative for conformational analysis studies. Comparison between theoretical results and those obtained experimentally in the gas phase can ma...

  11. Dynamic simulation of dispersed gas-liquid two-phase flow using a discrete bubble model.

    Delnoij, E.; Lammers, F.A.; Kuipers, J.A.M.; van Swaaij, Willibrordus Petrus Maria

    1997-01-01

    In this paper a detailed hydrodynamic model for gas-liquid two-phase flow will be presented. The model is based on a mixed Eulerian-Lagrangian approach and describes the time-dependent two-dimensional motion of small, spherical gas bubbles in a bubble column operating in the homogeneous regime. The

  12. DEMONSTRATION BULLETIN: GAS-PHASE CHEMICAL REDUCTION - ECO LOGIC INTERNATIONAL, INC.

    The patented Eco Logic Process employs a gas-phase reduction reaction of hydrogen with organic and chlorinated organic compounds at elevated temperatures to convert aqueous and oily hazardous contaminants into a hydrocarbon-rich gas product. After passing through a scrubber, the ...

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

    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

  14. Severe slugging in gas-liquid two-phase pipe flow

    Malekzadeh, R.

    2012-01-01

    transportation facilities. In an offshore oil and gas production facility, pipeline-riser systems are required to transport two-phase hydrocarbons from subsurface oil and gas wells to a central production platform. Severe slugs reaching several thousands pipe diameters may occur when transporting

  15. Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation

    Hu, Shenyang, E-mail: shenyang.hu@pnnl.gov; Burkes, Douglas E.; Lavender, Curt A.; Senor, David J.; Setyawan, Wahyu; Xu, Zhijie

    2016-10-15

    Nano-gas bubble superlattices are often observed in irradiated UMo nuclear fuels. However, the formation mechanism of gas bubble superlattices is not well understood. A number of physical processes may affect the gas bubble nucleation and growth; hence, the morphology of gas bubble microstructures including size and spatial distributions. In this work, a phase-field model integrating a first-passage Monte Carlo method to investigate the formation mechanism of gas bubble superlattices was developed. Six physical processes are taken into account in the model: 1) heterogeneous generation of gas atoms, vacancies, and interstitials informed from atomistic simulations; 2) one-dimensional (1-D) migration of interstitials; 3) irradiation-induced dissolution of gas atoms; 4) recombination between vacancies and interstitials; 5) elastic interaction; and 6) heterogeneous nucleation of gas bubbles. We found that the elastic interaction doesn’t cause the gas bubble alignment, and fast 1-D migration of interstitials along 〈110〉 directions in the body-centered cubic U matrix causes the gas bubble alignment along 〈110〉 directions. It implies that 1-D interstitial migration along [110] direction should be the primary mechanism of a fcc gas bubble superlattice which is observed in bcc UMo alloys. Simulations also show that fission rates, saturated gas concentration, and elastic interaction all affect the morphology of gas bubble microstructures.

  16. Biofilm structure and mass transfer in a gas phase trickle-bed biofilter.

    Zhu, X; Suidan, M T; Alonso, C; Yu, T; Kim, B J; Kim, B R

    2001-01-01

    Mass transport phenomena occurring in the biofilms of gas phase trickle-bed biofilters are investigated in this study. The effect of biofilm structure on mass transfer mechanisms is examined using experimental observation from the operating of biofilters, microelectrode techniques and microscopic examination. Since the biofilms of biofilters used for waste gas treatment are not completely saturated with water, there is not a distinguishable liquid layer outside the biofilm. Results suggest that due to this characteristic, gas phase substrates (such as oxygen or volatile organic compounds) may not be limited by the aqueous phase because transport of the compound into the biofilm can occur directly through non-wetted areas. On the other hand, for substrates that are present only in the liquid phase, such as nitrate, the mass transfer limitation is more serious because of the limited liquid supply. Microscopic observations show that a layered structure with void spaces exists within the biofilm. Oxygen concentration distributions along the depth of the biofilms are examined using an oxygen microelectrode. Results indicate that there are some high dissolved oxygen zones inside the biofilm, which suggests the existence of passages for oxygen transfer into the deeper sections of the biofilm in a gas phase trickle-bed biofilter. Both the low gas-liquid mass transfer resistance and the resulting internal structure contribute to the high oxygen penetration within the biofilms in gas phase trickle-bed biofilters.

  17. Propagation characteristics of pulverized coal and gas two-phase flow during an outburst.

    Zhou, Aitao; Wang, Kai; Fan, Lingpeng; Tao, Bo

    2017-01-01

    Coal and gas outbursts are dynamic failures that can involve the ejection of thousands tons of pulverized coal, as well as considerable volumes of gas, into a limited working space within a short period. The two-phase flow of gas and pulverized coal that occurs during an outburst can lead to fatalities and destroy underground equipment. This article examines the interaction mechanism between pulverized coal and gas flow. Based on the role of gas expansion energy in the development stage of outbursts, a numerical simulation method is proposed for investigating the propagation characteristics of the two-phase flow. This simulation method was verified by a shock tube experiment involving pulverized coal and gas flow. The experimental and simulated results both demonstrate that the instantaneous ejection of pulverized coal and gas flow can form outburst shock waves. These are attenuated along the propagation direction, and the volume fraction of pulverized coal in the two-phase flow has significant influence on attenuation of the outburst shock wave. As a whole, pulverized coal flow has a negative impact on gas flow, which makes a great loss of large amounts of initial energy, blocking the propagation of gas flow. According to comparison of numerical results for different roadway types, the attenuation effect of T-type roadways is best. In the propagation of shock wave, reflection and diffraction of shock wave interact through the complex roadway types.

  18. Stability analysis of single-phase thermosyphon loops by finite difference numerical methods

    Ambrosini, W.

    1998-01-01

    In this paper, examples of the application of finite difference numerical methods in the analysis of stability of single-phase natural circulation loops are reported. The problem is here addressed for its relevance for thermal-hydraulic system code applications, in the aim to point out the effect of truncation error on stability prediction. The methodology adopted for analysing in a systematic way the effect of various finite difference discretization can be considered the numerical analogue of the usual techniques adopted for PDE stability analysis. Three different single-phase loop configurations are considered involving various kinds of boundary conditions. In one of these cases, an original dimensionless form of the governing equations is proposed, adopting the Reynolds number as a flow variable. This allows for an appropriate consideration of transition between laminar and turbulent regimes, which is not possible with other dimensionless forms, thus enlarging the field of validity of model assumptions. (author). 14 refs., 8 figs

  19. Linear stability of liquid films with phase change at the interface

    Spindler, Bertrand

    1980-01-01

    The objective of this research thesis is to study the linear stability of the flow of a liquid film on an inclined plane with a heat flow on the wall and an interfacial phase change, and to highlight the influence of the phase change on the flow stability. In order to do so, the author first proposed a rational simplification of equations by studying the order of magnitude of different terms, and based on some simple hypotheses regarding flow physics. Two stability studies are then addressed, one regarding a flow with a pre-existing film, and the other regarding the flow of a condensation film. In both cases, it is assumed that there is no imposed heat flow, but that the driving effect of vapour by the liquid film is taken into account [fr

  20. Study of the stability of ordered phases in non-stoichiometric transition metal carbides and nitrides

    Landesman, J.P.

    1986-03-01

    After presenting the results of neutron diffraction experiments on the ordered compounds Nb 6 C 5 and Ti 2 N, we propose a classification of the ordered phases encountered in this class of compounds, and, using a tight-binding description of the electronic structure, we calculate the band energy for several ordered configurations and the disordered configuration, for a given metalloid vacancy concentration. We can then, on one hand, predict the relative stability (at O K) of the various ordered phases possible at this concentration - and these predictions are in good agreement with the experimental observations, mainly in the case of carbides - and on the other hand calculate the effective pair interactions V 1 and V 2 which appear in the Ising model and reconstruct theoretical stability maps, for any vacancy concentration, which are again in agreement with the phenomenological stability maps (overall agreement in the case of nitrides, more precise agreement in the case of carbides) [fr

  1. CRYSTAL CHEMISTRY OF THREE-COMPONENT WHITE DWARFS AND NEUTRON STAR CRUSTS: PHASE STABILITY, PHASE STRATIFICATION, AND PHYSICAL PROPERTIES

    Engstrom, T. A.; Yoder, N. C.; Crespi, V. H., E-mail: tae146@psu.edu, E-mail: ncy5007@psu.edu, E-mail: vhc2@psu.edu [Department of Physics, The Pennsylvania State University, University Park, PA 16802 (United States)

    2016-02-20

    A systematic search for multicomponent crystal structures is carried out for five different ternary systems of nuclei in a polarizable background of electrons, representative of accreted neutron star crusts and some white dwarfs. Candidate structures are “bred” by a genetic algorithm and optimized at constant pressure under the assumption of linear response (Thomas–Fermi) charge screening. Subsequent phase equilibria calculations reveal eight distinct crystal structures in the T = 0 bulk phase diagrams, five of which are complicated multinary structures not previously predicted in the context of compact object astrophysics. Frequent instances of geometrically similar but compositionally distinct phases give insight into structural preferences of systems with pairwise Yukawa interactions, including and extending to the regime of low-density colloidal suspensions made in a laboratory. As an application of these main results, we self-consistently couple the phase stability problem to the equations for a self-gravitating, hydrostatically stable white dwarf, with fixed overall composition. To our knowledge, this is the first attempt to incorporate complex multinary phases into the equilibrium phase-layering diagram and mass–radius-composition dependence, both of which are reported for He–C–O and C–O–Ne white dwarfs. Finite thickness interfacial phases (“interphases”) show up at the boundaries between single-component body-centered cubic (bcc) crystalline regions, some of which have lower lattice symmetry than cubic. A second application—quasi-static settling of heavy nuclei in white dwarfs—builds on our equilibrium phase-layering method. Tests of this nonequilibrium method reveal extra phases that play the role of transient host phases for the settling species.

  2. Thermal stability and phase transformation of metastable phases in Zr-Nb

    Aurelio, G.; Fernandez Guillermet, Armando

    2003-01-01

    The lattice parameters of the bcc (β) and (Ω) phases occurring metastability in a series of Zr-rich Zr-Nb alloys have been determined at and above room temperature (TR) using neutron diffraction techniques. In the first place, the effect of temperature changes upon the lattice parameters of the β and Ω phases in alloys with 10 and 18 at. % Nb was monitored using neutron thermo-diffraction. A method of analysis is applied to the data, which involve a confrontation between the observed structural properties and an idealized -or 'reference'- behavior (RB) which admits a simple mathematical description. A generalized form of the law of Vegard is adopted as RB for the β phase, whereas a specific RB is proposed for the Ω structure. The experimental data are well accounted for by this interpretation scheme, leading to a picture of the isothermal reactions occurring at high temperature, which involves the transfer of Nb from the Ω to the β phase. Finally, the neutron diffraction data on the Ω phase is combined with an electron microscopy study for the alloy with 10 at. % Nb aged at 773 K, which provides information on the composition of this phase and its evolution towards thermodynamic equilibrium. (author)

  3. Phase transitions in vector quantization and neural gas

    Witoelar, Aree; Biehl, Michael

    The statistical physics of off-learning is applied to winner-takes-all (WTA) and rank-based vector quantization (VQ), including the neural gas (NG). The analysis is based on the limit of high training temperatures and the annealed approximation. The typical learning behavior is evaluated for systems

  4. Gas phase dispersion in a small rotary kiln

    Spencer, B.B.

    1981-07-01

    A study was made of nonideal flow of gas in a rotary kiln reactor. A rotating tube 0.165 m in diameter by 2.17 m long, with internal lifting flights, was operated at room temperature. Rotational speeds from 2.0 to 7.0 rpm, air flow rates from 0.351 to 4.178 m 3 /h, and solid contents of 0.0, 5.1, and 15.3% of tube volume were studied. Residence time distribution of the gas was measured by means of the pulse injection technique using a helium tracer. A model was developed based on dispersive flow that exchanges with a deadwater region. Two parameters, a dispersion number describing bulk gas flow and an interchange factor describing exchange between the flow region and the gas trapped in the solids bed, were sufficient to correlate the data, but these parameters are sensitive to experimental error. The model is applicable to analysis of other flow systems, such as packed beds

  5. Oriented xenon hydride molecules in the gas phase

    Buck, U.; Fárník, Michal

    2006-01-01

    Roč. 25, č. 4 (2006), s. 583-612 ISSN 0144-235X Grant - others:Deutsche Forschungsgemeinschaft(DE) SFB 357 Institutional research plan: CEZ:AV0Z40400503 Keywords : photofragment translational spectroscopy * charge transfer molecules * low temperature matrices * neutral rare-gas Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.036, year: 2006

  6. Ceramic stationary gas turbine development. Final report, Phase 1

    NONE

    1994-09-01

    This report summarizes work performed by Solar Turbines Inc. and its subcontractors during the period September 25, 1992 through April 30, 1993. The objective of the work is to improve the performance of stationary gas turbines in cogeneration through implementation of selected ceramic components.

  7. Method of removing alkyl iodides or mixtures of iodine and alkyl iodides from a gas phase and an aqueous solution phase by utilizing ion exchange resins

    Shimizu, Hiroshi; Mizuuchi, Noboru; Yokoyama, Fumio.

    1967-01-01

    Alkyl iodides and mixtures of iodine and alkyl iodides are removed from a gas phase and an aquous solution phase by using solely an anion exchange resin containing a tertiary amine or together with an anion exchange resin containing quarternary ammonium compound. The resin containing the quarternary ammonium compound is employed mainly to remove iodine, and the resin containing the tertiary amine serves mainly to remove alkyl iodides. The method can be applied to collecting a majority of the methyl iodide as well as the radioactive iodine produced in the atmosphere of a reactor in case of a fuel accident. In embodiments, it is desirable to maintain the sufficient moisture content of the anion exchange resins at a sufficient moisture level so as not to reduce the migration speed of the iodine and alkyl iodides. The iodine and alkyl iodide can be produced with high efficiency and stability independently of the relative humidity of the gas phase. In examples, a solution which consists of 20.5 mg/l of iodine and 42.2mg/l of methyl iodide flew through a column of Amberite IRA-93 alone or blended with IRA-900 at a speed of 15 /hr. respectively. The resins were able to treat 400 times their equivalent in water. (Iwakiri, K.)

  8. Carrier-envelope phase-stabilized attosecond pulses from asymmetric molecules

    Lan Pengfei; Lu Peixiang; Cao Wei; Li Yuhua; Wang Xinlin

    2007-01-01

    High-order harmonic generation from asymmetric molecules is investigated, and the concept of phase-stabilized infrared ultrashort laser pulses is extended to the extreme ultraviolet regime. It is shown that the ionization symmetry in consecutive half optical cycles is broken for asymmetric molecules, and both even and odd harmonics with comparable intensity are produced. In the time domain, only one attosecond pulse is generated in each cycle of the driving field, and the carrier-envelope phases of the attosecond pulses are equal. Consequently, a clean attosecond pulse train with the same carrier-envelope phase from pulse to pulse is obtained in the extreme ultraviolet regime

  9. Influence of the extracted solute on the aggregation of malonamide extractant in organic phases: Consequences for phase stability

    Berthon, L.; Martinet, L.; Testard, F.; Madic, Ch.; Zem, Th.

    2010-01-01

    Due to their amphiphilic properties, malonamide molecules in alkane are organized in reverse micelle type aggregates, composed of a polar core formed by the malonamide polar heads and the extracted solutes, and surrounded by a hydrophobic shell made up of the extractant alkyl chains. The aggregates interact with one another through an attractive potential, leading to the formation of a third phase. This occurs with the splitting of the organic phase into a light phase composed mostly of diluent, and a heavy third phase containing highly concentrated extractant and solutes. In this article, we show that the aggregation (monomer concentration, domain of stability, and attractive potential between micelles) greatly depends on the nature of the extracted solute, whereas the size of aggregate (aggregation number) is only slightly influenced by this. We describe the extraction of water, nitric acid, neodymium nitrate and uranyl nitrate. Strongly polarizable species induce consistently large attraction potentials and a small stability domain for the dispersion of nano-droplets in the solvent. Highly polarizable ions such as lanthanides or uranyl induce more long-range attractive interactions than do protons. (authors)

  10. Effect of virtual mass on the characteristics and the numerical stability in two-phase flows

    No, H.C.; Kazimi, M.S.

    1981-04-01

    It is known that the typical six equation two-fluid model of the two-phase flow possesses complex characteristics, exhibits unbounded instabilities in the short-wavelength limit and constitutes an ill-posed initial value problem. Among the suggestions to overcome these difficulties, one model for the virtual mass force terms were studied here, because the virtual mass represents real physical effects to accomplish the dissipation for numerical stability. It was found that the virtual mass has a profound effect upon the mathematical characteristic and numerical stability. Here a quantitative bound on the coefficient of the virtual mass terms was suggested for mathematical hyperbolicity and numerical stability. It was concluded that the finite difference scheme with the virtual mass model is restricted only by the convective stability conditions with the above suggested value

  11. Influence of additives on the stability of the phases of alumina

    Rosario, D.C.C.; Gouvea, D.

    2011-01-01

    Problems with the stability of gamma alumina in catalytic reactions have been solved with the inclusion of additives during the synthesis of alumina. These additives stabilize the temperature of phase transition allowing the use of metastable alumina at high temperatures, but the mechanisms of action of additives are not well defined. It is known that each family of additive or additives behaves in different ways for this stabilization. This work aimed to study the performance of MgO and ZrO 2 , respectively at different concentrations in alumina synthesized via Pechini. The samples were analyzed by DSC, X-ray diffraction, measurement of specific surface area by BET analysis, and infrared analysis. The results showed an increase in transition temperature for both additives, and a different changes for specific surface area, showing that MgO and ZrO 2 work on improving the stability but with distinct mechanisms. (author)

  12. Visualization of velocity field and phase distribution in gas-liquid two-phase flow by NMR imaging

    Matsui, G.; Monji, H.; Obata, J.

    2004-01-01

    NMR imaging has been applied in the field of fluid mechanics, mainly single phase flow, to visualize the instantaneous flow velocity field. In the present study, NMR imaging was used to visualize simultaneously both the instantaneous phase structure and velocity field of gas-liquid two-phase flow. Two methods of NMR imaging were applied. One is useful to visualize both the one component of liquid velocity and the phase distribution. This method was applied to horizontal two-phase flow and a bubble rising in stagnant oil. It was successful in obtaining some pictures of velocity field and phase distribution on the cross section of the pipe. The other is used to visualize a two-dimensional velocity field. This method was applied to a bubble rising in a stagnant water. The velocity field was visualized after and before the passage of a bubble at the measuring cross section. Furthermore, the distribution of liquid velocity was obtained. (author)

  13. Global stability of phase lock near a chaotic crisis in the rf-biased Josephson junction

    Kautz, R.L.

    1987-01-01

    The global stability of phase lock in the rf-biased Josephson junction is studied through digital simulations. Global stability is determined by calculating the lifetime of the phase-locked state in the presence of thermal noise. This lifetime, the mean time required for thermal noise to induce a 2π phase slip, increases exponentially with inverse temperature in the limit of low temperatures, and the low-temperature asymptote can be parametrized in terms of an activation energy E-script and an attempt time tau 0 . The activation energy is a useful measure of global stability for both periodic and chaotic phase-locked states. The behavior of E-script and tau 0 is studied over a range of critical-current densities which take the system from a region of harmonic motion through a period-doubling cascade and into a region of phase-locked chaotic behavior which is ended by a chaotic crisis. At the crisis point, the activation energy goes to zero and the attempt time goes to infinity. The results are used to determine the optimum critical-current density for series-array voltage standards

  14. The study of the structural stability of the spiral laser beams propagation through inhomogeneous phase medium

    Zinchik, Alexander A.; Muzychenko, Yana B.

    2015-06-01

    This paper discusses theoretical and experimental results of the investigation of light beams that retain their intensity structure during propagation and focusing. Spiral laser beams are a family of laser beams that preserve the structural stability up to scale and rotation with the propagation. Properties of spiral beams are of practical interest for laser technology, medicine and biotechnology. Researchers use a spiral beams for movement and manipulation of microparticles. Functionality laser manipulators can be significantly enhanced by using spiral beams whose intensity remains invariable. It is well known, that these beams has non-zero orbital angular momentum. Spiral beams have a complicated phase distribution in cross section. In this paper we investigate the structural stability of the laser beams having a spiral phase structure by passing them through an inhomogeneous phase medium. Laser beam is passed through a medium is characterized by a random distribution of phase in the range 0..2π. The modeling was performed using VirtualLab 5.0 (manufacturer LightTrans GmbH). Compared the intensity distribution of the spiral and ordinary laser beam after the passage of the inhomogeneous medium. It is shown that the spiral beams exhibit a significantly better structural stability during the passage phase heterogeneous environments than conventional laser beams. The results obtained in the simulation are tested experimentally. Experimental results show good agreement with the theoretical results.

  15. Fast phase stabilization of a low frequency beat note for atom interferometry

    Oh, E.; Horne, R. A.; Sackett, C. A., E-mail: sackett@virginia.edu [Department of Physics, University of Virginia, 382 McCormick Road, Charlottesville, Virginia 22904-4714 (United States)

    2016-06-15

    Atom interferometry experiments rely on the ability to obtain a stable signal that corresponds to an atomic phase. For interferometers that use laser beams to manipulate the atoms, noise in the lasers can lead to errors in the atomic measurement. In particular, it is often necessary to actively stabilize the optical phase between two frequency components of the beams. Typically this is achieved using a time-domain measurement of a beat note between the two frequencies. This becomes challenging when the frequency difference is small and the phase measurement must be made quickly. The method presented here instead uses a spatial interference detection to rapidly measure the optical phase for arbitrary frequency differences. A feedback system operating at a bandwidth of about 10 MHz could then correct the phase in about 3 μs. This time is short enough that the phase correction could be applied at the start of a laser pulse without appreciably degrading the fidelity of the atom interferometer operation. The phase stabilization system was demonstrated in a simple atom interferometer measurement of the {sup 87}Rb recoil frequency.

  16. Stabilization of Phase of a Sinusoidal Signal Transmitted Over Optical Fiber

    DAddario, Larry R.; Trink, Joseph T.

    2010-01-01

    In the process of connecting widely distributed antennas into a coherent array, it is necessary to synchronize the timing of signals at the various locations. This can be accomplished by distributing a common reference signal from a central source, usually over optical fiber. A high-frequency (RF or microwave) tone is a good choice for the reference. One difficulty is that the effective length of the optical fiber changes with temperature and mechanical stress, leading to phase instability in the received tone. This innovation provides a new way to stabilize the phase of the received tone, in spite of variations in the electrical length of the fiber. Stabilization is accomplished by two-way transmission in which part of the received signal is returned to the transmitting end over an identical fiber. The returned signal is detected and used to close an electrical servo loop whose effect is to keep constant the phase of the tone at the receiving end.

  17. Phase stability of TiH{sub 2} under high pressure and temperatures

    Selva Vennila, R.; Durygin, A.; Saxena, S.K. [Center for Study of Matter at Extreme Conditions (CeSMEC), Florida International University, VH-150, University Park, Miami, FL 33199 (United States); Merlini, Marco [European Synchrotron Radiation Facility (ESRF), Grenoble 38043 (France); Wang, Zhongwu [Cornell High Energy Synchrotron Source (CHESS), Wilson Laboratory, Cornell University, Ithaca, NY 14853 (United States)

    2008-11-15

    Phase stability of titanium hydride (TiH{sub 2}) was studied at high pressure-high temperature conditions using synchrotron radiation under non-hydrostatic conditions. Resistive heating method was used to heat the sample to a maximum temperature of 873 K in a diamond anvil cell (DAC) under pressure up to 12 GPa. Pressure-temperature behavior was studied by varying the temperature upto 823 K in steps of 50 K with pressure variations within 3 GPa. Structural phase transformation from tetragonal (I4/mmm) to cubic (Fm-3 m) was observed with increase in temperature. Tetragonal phase was found to be stabilized when the sample was subjected to pressure and temperature cycle. (author)

  18. Influence of additives on phase stabilization of scandia-doped zirconia

    Muccillo, Eliana Navarro dos Santos; Grosso, Robson Lopes; Reis, Shirley Leite dos; Muccillo, Reginaldo, E-mail: enavarro@usp.br, E-mail: roblopeg@usp.br, E-mail: shirley.reis@usp.br, E-mail: muccillo@usp.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2017-04-15

    The effects of small additions of tin, zinc, calcium and boron oxides on phase composition and electrical conductivity of zirconia-10 mol% scandia were investigated. Compounds containing 1 mol% zinc, tin and calcium oxides and 1, 3 and 5 wt.% boron oxide were prepared by solid state reaction and characterized by X-ray diffraction, density measurements, scanning electron microscopy and impedance spectroscopy. Full stabilization of the cubic structure at room temperature was obtained with additions of 1 mol% calcium oxide and 2 wt.% boron oxide. Partially stabilized compounds exhibit herringbone structure, characteristic of the β- rhombohedric phase. Specimens with calcium as additive show total conductivity of 23.8 mS.cm{sup -1} at 750 deg C with activation energy of 1.13 eV. Liquid phase sintering by boron oxide addition is effective to enhance the densification of the solid electrolyte. (author)

  19. Classification and analysis of factors that affect stability of oil and gas enterprise staff

    Zelinska Haluna Olexiivna

    2016-12-01

    Full Text Available The relevance of human resources as a strategic goal of sustainable development of oil and gas companies is determined. It is shown that the stability of staff, as the main component of the social components of sustainable enterprise development, research and evaluation needs in terms of an integrated system of factors influence the behavior of staff. Addressing issues related to the management personnel can be based classification study the factors affecting its stability in the formation of high quality human resources strategy. In particular noted that the needs of each employee should become an integral part of the concept of work and life balance. Analysis of the results of the study showed that in areas of oil and gas industry has a number of factors that negatively affect its operation and development, which are caused not only technical, technological and natural factors, but also due to neglect behavioral characteristics personnel. It is found that without understanding of the behavioral characteristics of staff and its values can`t implement a quality model of human resource management and provide optimal scenarios of oil companies in general.

  20. Liquid-gas phase transition and isospin fractionation in intermediate energy heavy ion collisions

    Xing Yongzhong; Liu Jianye; Guo Wenjun

    2004-01-01

    The liquid-gas phase transition in the heavy ion collisions and nuclear matter has been an important topic and got achievements, such as, based on the studies by H.Q. Song et al the critical temperature of liquid-gas phase transition enhances with increasing the mass of system and reduces as the increase of the neutron proton ratio of system. As authors know that both the liquid-gas phase transition and the isospin fractionation occur in the spinodal instability region at the nuclear density below the normal nuclear density. In particular, these two dynamical processes lead to the separation of nuclear matter into the liquid phase and gas phase. In this case to compare their dynamical behaviors is interested. The authors investigate the dependence of isospin fractionation degree on the mass and neutron proton ratio of system by using the isospin dependent quantum molecular dynamics model. The authors found that the degree of isospin fractionation (N/Z) n /(N/Z) imf decreases with increasing the mass of the system. This is just similar to the enhance of the critical temperature of liquid-gas phase transition T c as the increase of system mass. Because the enhance of T c is not favorable for the liquid-gas transition taking place, which reduces the isospin fractionation process and leads to decrease of (N/Z) n /(N/Z) imf . However the degree of isospin fractionation enhances with increasing the neutron proton ratio of the system. It is just corresponding to the reduce of T c of the liquid-gas phase transition as the increase of the isospin fractionation of the system. Because the reduce of T c enhances the liquid-gas phase transition process and also prompts the isospin fractionation process leading the increase of the isospin fractionation degree. To sum up, there are very similar dynamical behaviors for the degree of isospin fractionation and the critical temperature of the liquid-gas phase transition. So dynamical properties of the liquid-gas phase transition can

  1. Nanoscale Phase Stability Reversal During the Nucleation and Growth of Titanium Oxide Minerals

    Hummmer, D. R.; Heaney, P. J.; Kubicki, J. D.; Kent, P. R.; Post, J. E.

    2008-12-01

    Fine-grained titanium oxide minerals are important in soils, where they affect a variety of geochemical processes. They are also industrially important as catalysts, pigments, food additives, and dielectrics. Recent research has indicated an apparent reversal of thermodynamic stability between TiO2 phases at the nanoscale thought to be caused by an increased contribution of surface energy to the total free energy. Time-resolved X-ray diffraction (XRD) experiments in which titanium oxides crystallize from aqueous TiCl4 solutions confirm that anatase, a metastable phase, is always the first phase to nucleate under our range of initial conditions. Rutile peaks are observed only minutes after the first appearance of anatase, after which anatase abundance slowly decreases while rutile continues to form. Whole pattern refinement of diffraction data reveals that lattice constants of both phases increase throughout the crystallization process. In addition, transmission electron microscope (TEM) observations and kinetic modeling indicate that anatase does not undergo a solid-state transformation to the rutile structure as once thought. Instead, anatase appears to re-dissolve and then feed the growth of already nucleated rutile nanocrystals. Density functional theory (DFT) calculations were employed to model 1, 2, and 3 nm particles of both mineral phases. The total surface energies calculated from these models did yield lower values for anatase than for rutile by 8-13 kJ/mol depending on particle size, indicating that surface free energy is sufficient to account for stability reversal. However, these whole-particle surface energies were much higher than the sum of energies of each particle's constituent crystallographic surfaces. We attribute the excess energy to defects associated with the edges and corners of nanoparticles, which are not present on a 2-D periodic surface. This previously unreported edge and corner energy may play a dominant role in the stability reversal

  2. Experimental and numerical investigation of gas phase freeboard combustion

    Andersen, J.; Jensen, Peter Arendt; Meyer, K.E.

    2009-01-01

    Experimental data for velocity field, temperatures, and gas composition have been obtained from a 50 kW axisymmetric non-swirling natural gas fired combustion setup under two different settings. The reactor was constructed to simulate the conditions in the freeboard of a grate-fired boiler...... but under well-defined conditions. The experimental results are compared to computational fluid dynamics (CFD) modeling predictions, using the eddy dissipation model (EDM) its well as the eddy dissipation concept (EDC). The use of EDC allows for implementation of more advanced combustion schemes; we have...... tested the four-step global mechanism by Jones and Lindstedt (Combust. Flame 1988, 73, 233-249), and the 16 species and 41 reaction skeletal mechanism by Yang and Pope (Combust. Flame 1998, 112 16-32). The CFD model captured the main features of the combustion process and flow patterns. The application...

  3. Experimental and numerical investigation of gas phase freeboard combustion

    Andersen, Jimmy; Jensen, Peter Arendt; Hvid, S.L.

    2009-01-01

    In part 1 of the present work (10.1021/ef900752a), experimental data and computational fluid dynamics (CFD) modeling predictions for velocity field, temperatures, and major species were compared fora 50 kW axisymmetric, non-swirling natural gas Fired combustion setup, constructed to simulate...... the conditions in the freeboard of it grate-fired boiler. Here, in part 2, the ability of CFD to predict volatile N oxidation to NO and N(2) is evaluated. Trace amounts of ammonia were added to the natural gas, and local measurements of NH(3) and NO in the reactor were compared to modeling predictions. Different...... modeling approaches, including global schemes and analytically reduced mechanisms, were tested in the CFD calculations. In addition, the simplified schemes were compared to reference calculations with a detailed mechanism under isothermal plug flow reactor conditions. While none of the global ammonia...

  4. Gas-phase spectroscopy of synephrine by laser desorption supersonic jet technique.

    Ishiuchi, Shun-ichi; Asakawa, Toshiro; Mitsuda, Haruhiko; Miyazaki, Mitsuhiko; Chakraborty, Shamik; Fujii, Masaaki

    2011-09-22

    In our previous work, we found that synephrine has six conformers in the gas phase, while adrenaline, which is a catecholamine and has the same side chain as synephrine, has been reported to have only two conformers. To determine the conformational geometries of synephrine, we measured resonance enhanced multiphoton ionization, ultraviolet-ultraviolet hole burning, and infrared dip spectra by utilizing the laser desorption supersonic jet technique. By comparing the observed infrared spectra with theoretical ones, we assigned geometries except for the orientations of the phenolic OH group. Comparison between the determined structures of synephrine and those of 2-methylaminno-1-phenylethanol, which has the same side chain as synephrine but no phenol OH group, leads to the conclusion that the phenolic OH group in synephrine does not affect the conformational flexibility of the side chain. In the case of adrenaline, which is expected to have 12 conformers if there are no interactions between the catecholic OH groups and the side chain, some interactions possibly exist between them because only two conformations are observed. By estimation of the dipole-dipole interaction energy between partial dipole moments of the catecholic OH groups and the side chain, it was concluded that the dipole-dipole interaction stabilizes specific conformers which are actually observed. © 2011 American Chemical Society

  5. GAS-PHASE CHEMISTRY OF THE CYANATE ION, OCN{sup −}

    Cole, Callie A.; Wang, Zhe-Chen; Bierbaum, Veronica M. [Department of Chemistry and Biochemistry, 215 UCB, University of Colorado, Boulder, CO 80309 (United States); Snow, Theodore P. [Center for Astrophysics and Space Astronomy, 389 UCB, University of Colorado, Boulder, CO 80309 (United States)

    2015-10-10

    Cyanate (OCN{sup −}) is the only ion to date whose presence has been confirmed in the icy mantles that coat interstellar dust grains. Understanding the chemical behavior of cyanate at a fundamental level is therefore integral to the advancement of astrochemistry. We seek to unravel the chemistry of this intriguing anion through a combination of gas-phase experiments and theoretical explorations. Our approach is twofold: first, employing a flowing afterglow-selected ion flow tube apparatus, the reactions between OCN{sup −} and three of the most abundant atomic species in the interstellar medium, hydrogen, nitrogen, and oxygen, are examined. Hydrogen atoms readily react by associative detachment, but the remarkable stability of OCN{sup −} does not give rise to an observable reaction with either nitrogen or oxygen atoms. To explain these results, the potential energy surfaces of several reactions are investigated at the B3LYP/6-311++G(d,p) level of theory. Second, collision induced dissociation experiments involving deprotonated uracil, thymine, and cytosine in an ion trap mass spectrometer reveal an interesting connection between these pyrimidine nucleobase anions and OCN{sup −}. Theoretical calculations at the B3LYP/6-311++G(d,p) level of theory are performed to delineate the mechanisms of dissociation and explore the possible role of OCN{sup −} as a biomolecule precursor.

  6. A computational and spectroscopic study of the gas-phase conformers of adrenaline

    Çarçabal, P.; Snoek, L. C.; van Mourik, T.

    The conformational landscapes of the neurotransmitter l-adrenaline (l-epinephrine) and its diastereoisomer pseudo-adrenaline, isolated in the gas phase and un-protonated, have been investigated by using a combination of mass-selected ultraviolet and infrared holeburn spectroscopy, following laser desorption of the sample into a pulsed supersonic argon jet, and DFT and ab initio computation (at the B3LYP/6-31+G*, MP2/6-31+G* and MP2/aug-cc-pVDZ levels of theory). Both for adrenaline and its diastereoisomer, pseudo-adrenaline, one dominant molecular conformation, very similar to the one seen in noradrenaline, has been observed. It could be assigned to an extended side-chain structure (AG1a) stabilized by an OH → N intramolecular hydrogen bond. An intramolecular hydrogen bond is also formed between the neighbouring hydroxyl groups on the catechol ring. The presence of further conformers for both diastereoisomers could not be excluded, but overlapping electronic spectra and low ion signals prevented further assignments.

  7. Phases of a polar spin-1 Bose gas in a magnetic field

    Kis-Szabo, Krisztian; Szepfalusy, Peter; Szirmai, Gergely

    2007-01-01

    The two Bose-Einstein condensed phases of a polar spin-1 gas at nonzero magnetizations and temperatures are investigated. The Hugenholtz-Pines theorem is generalized to this system. Crossover to a quantum phase transition is also studied. Results are discussed in a mean field approximation

  8. Gas-phase polynuclear aromatic hydrocarbons (PAH) in vehicle exhaust: A method for collection and analysis

    Seigl, W.O.; Chladek, E.

    1990-01-01

    Gas-phase polynuclear aromatic hydrocarbons (PAH) are emitted at low levels in vehicle exhaust compared to other hydrocarbon emissions. A method has been developed involving the trapping of gas phase emissions on Tenax, a macrorecticular porous polymer, followed by thermal desorption onto a capillary gas chromatography column. Gas chromatography/mass spectrometry (GC/MS) was used for the chemical analysis. A detection limit of 0.05 ng was achieved for several gas-phase PAH. This high sensitivity enables the speciation and quantitation of gas-phase PAH collected from a dilution tube during standard driving (test) cycles. The method was demonstrated for the analysis of 9 PAH in the exhaust from a 1987 vehicle (with and without catalyst) during the hot start transient phase of the EPA urban dynamometer driving schedule. The PAH measured include naphthalene, 2-methyl- and 1-methylnaphthalene, biphenyl, fluorene, phenanthrene, anthracene, fluoranthene and pyrene. The four most abundant PAH observed are naphthalene, 2-methyl and 1-methylnaphthalene, and biphenyl, in that order

  9. Maxwell's Law Based Models for Liquid and Gas Phase Diffusivities in Variably-Saturated Soil

    Mamamoto, Shoichiro; Møldrup, Per; Kawamoto, Ken

    2012-01-01

    -s,D-l). Different percolation threshold terms adopted from recent studies for gas (D-s,D-g) and solute (D-s,D-l) diffusion were applied. For gas diffusion, epsilon(th) was a function of bulk density (total porosity), while for solute diffusion theta(th) was best described by volumetric content of finer soil...... particles (clay and organic matter), FINESvol. The resulting LIquid and GAs diffusivity and tortuosity (LIGA) models were tested against D-s,D-g and D-s,D-l data for differently-textured soils and performed well against the measured data across soil types. A sensitivity analysis using the new Maxwell's Law...... based LIGA models implied that the liquid phase but not the gaseous-phase tortuosity was controlled by soil type. The analyses also suggested very different pathways and fluid-phase connectivity for gas and solute diffusion in unsaturated soil...

  10. Analysis of volatile phase transport in soils using natural radon gas as a tracer

    Chen, C.; Thomas, D.M.

    1992-01-01

    We have conducted a field study of soil gas transport processes using radon gas as a naturally occurring tracer. The experiment monitored soil gas radon activity, soil moisture, and soil temperature at three depths in the shallow soil column; barometric pressure, rainfall and wind speed were monitored at the soil surface. Linear and multiple regression analysis of the data sets has shown that the gas phase radon activities under natural environmental conditions are influenced by soil moisture content, barometric pressure variations, soil temperature and soil structure. The effect of wind speed on subsurface radon activities under our field conditions has not been demonstrated

  11. Technology assessment of long distance liquid natural gas pipelines. Phase 8. Cold utilization and rural service

    1977-02-01

    This phase of the investigation presents a summary of material relating to: (1) actual or potential applications for the very large refrigeration effects inherent in the vaporization of liquid natural gas; and (2) rural service gas supplies adjacent to the route of a trunk liquid natural gas line. A variety of concepts for cold utilization are discussed. The Canadian prospects for cold utilization include: electric power generation; oxygen production for integration with a coal gasification project; and the use of refrigeration stages in the petrochemical processing of natural gas, for example, ethane separation and processing to produce ethylene and ammonia.

  12. Microfluidic and nanofluidic phase behaviour characterization for industrial CO2, oil and gas.

    Bao, Bo; Riordon, Jason; Mostowfi, Farshid; Sinton, David

    2017-08-08

    Microfluidic systems that leverage unique micro-scale phenomena have been developed to provide rapid, accurate and robust analysis, predominantly for biomedical applications. These attributes, in addition to the ability to access high temperatures and pressures, have motivated recent expanded applications in phase measurements relevant to industrial CO 2 , oil and gas applications. We here present a comprehensive review of this exciting new field, separating microfluidic and nanofluidic approaches. Microfluidics is practical, and provides similar phase properties analysis to established bulk methods with advantages in speed, control and sample size. Nanofluidic phase behaviour can deviate from bulk measurements, which is of particular relevance to emerging unconventional oil and gas production from nanoporous shale. In short, microfluidics offers a practical, compelling replacement of current bulk phase measurement systems, whereas nanofluidics is not practical, but uniquely provides insight into phase change phenomena at nanoscales. Challenges, trends and opportunities for phase measurements at both scales are highlighted.

  13. The effect of relativity on stability of Copernicium phases, their electronic structure and mechanical properties

    Čenčariková, Hana; Legut, Dominik

    2018-05-01

    The phase stability of the various crystalline structures of the super-heavy element Copernicium was determined based on the first-principles calculations with different levels of the relativistic effects. We utilized the Darwin term, mass-velocity, and spin-orbit interaction with the single electron framework of the density functional theory while treating the exchange and correlation effects using local density approximations. It is found that the spin-orbit coupling is the key component to stabilize the body-centered cubic (bcc) structure over the hexagonal closed packed (hcp) structure, which is in accord with Sol. Stat. Comm. 152 (2012) 530, but in contrast to Atta-Fynn and Ray (2015) [11], Gaston et al. (2007) [10], Papaconstantopoulos (2015) [9]. It seems that the main role here is the correct description of the semi-core relativistic 6p1/2 orbitals. The all other investigated structures, i.e. face-centered cubic (fcc) , simple cubic (sc) as well as rhombohedral (rh) structures are higher in energy. The criteria of mechanical stability were investigated based on the calculated elastic constants, identifying the phase instability of fcc and rh structures, but surprisingly confirm the stability of the energetically higher sc structure. In addition, the pressure-induced structural transition between two stable sc and bcc phases has been detected. The ground-state bcc structure exhibits the highest elastic anisotropy from single elements of the Periodic table. At last, we support the experimental findings that Copernicium is a metal.

  14. Experimental and computational study on the phase stability of Al-containing cubic transition metal nitrides

    Rovere, Florian; Mayrhofer, Paul H; Music, Denis; Ershov, Sergey; Baben, Moritz to; Schneider, Jochen M; Fuss, Hans-Gerd

    2010-01-01

    The phase stability of Al-containing cubic transition metal (TM) nitrides, where Al substitutes for TM (i.e. TM 1-x Al x N), is studied as a function of the TM valence electron concentration (VEC). X-ray diffraction and thermal analyses data of magnetron sputtered Ti 1-x Al x N, V 1-x Al x N and Cr 1-x Al x N films indicate increasing phase stability of cubic TM 1-x Al x N at larger Al contents and higher temperatures with increasing TM VEC. These experimental findings can be understood based on first principle investigations of ternary cubic TM 1-x Al x N with TM = Sc, Ti, V, Cr, Y, Zr and Nb where the TM VEC and the lattice strain are systematically varied. However, our experimental data indicate that, in addition to the decomposition energetics (cubic TM 1-x Al x N → cubic TMN + hexagonal AlN), future stability models have to include nitrogen release as one of the mechanisms that critically determine the overall phase stability of TM 1-x Al x N.

  15. CASCADER: An m-chain gas-phase radionuclide transport and fate model

    Cawlfield, D.E.; Been, K.B.; Emer, D.F.; Lindstrom, F.T.; Shott, G.J.

    1993-06-01

    Chemicals and radionuclides move either in the gas-phase, liquid-phase, or both phases in soils. They may be acted upon by either biological or abiotic processes through advection and/or diffusion. Furthermore, parent and daughter radionuclides may decay as they are transported in the soil. This is volume two to the CASCADER series, titled CASCADR8. It embodies the concepts presented in volume one of this series. To properly understand how the CASCADR8 model works, the reader should read volume one first. This volume presents the input and output file structure for CASCADR8, and a set of realistic scenarios for buried sources of radon gas

  16. CASCADER: An M-chain gas-phase radionuclide transport and fate model

    Cawlfield, D.E.; Emer, D.F.; Lindstrom, F.T.; Shott, G.J.

    1993-09-01

    Chemicals and radionuclides move either in the gas-phase, liquid-phase, or both phases in soils. They may be acted upon by either biological or abiotic processes through advection and/or dispersion. Additionally during the transport of parent and daughter radionuclides in soil, radionuclide decay may occur. This version of CASCADER called CASCADR9 starts with the concepts presented in volumes one and three of this series. For a proper understanding of how the model works, the reader should read volume one first. Also presented in this volume is a set of realistic scenarios for buried sources of radon gas, and the input and output file structure for CASCADER9

  17. The electron spectrum of UF6 recorded in the gas phase

    Mârtensson, N.; Malmquist, P.-Å.; Svensson, S.; Johansson, B.

    1984-06-01

    Gas phase core and valence electron spectra from UF6, excited by AlKα monochromatized x rays, in the binding energy range 0-1000 eV are presented. It is shown that the AlKα excited valence electron spectrum can be used to reassign the highest occupied molecular orbital (HOMO) in UF6. Many-body effects on the core levels are discussed and core level lifetimes are determined. The shift between solid phase and gas phase electron binding energies for core lines is used to discuss the U5 f population in UF6.

  18. Activation of methane by zinc: gas-phase synthesis, structure, and bonding of HZnCH3.

    Flory, Michael A; Apponi, Aldo J; Zack, Lindsay N; Ziurys, Lucy M

    2010-12-08

    The methylzinc hydride molecule, HZnCH3, has been observed in the gas phase for the first time in the monomeric form using high-resolution spectroscopic techniques. The molecule was synthesized by two methods: the reaction of dimethylzinc with hydrogen gas and methane in an AC discharge and the reaction of zinc vapor produced in a Broida-type oven with methane in a DC discharge. HZnCH3 was identified on the basis of its pure rotational spectrum, which was recorded using millimeter/submillimeter direct-absorption and Fourier transform microwave techniques over the frequency ranges 332-516 GHz and 18-41 GHz, respectively. Multiple rotational transitions were measured for this molecule in seven isotopic variants. K-ladder structure was clearly present in all of the spectra, indicating a molecule with C3v symmetry and a (1)A1 ground electronic state. Extensive quadrupole hyperfine structure arising from the (67)Zn nucleus was observed for the H(67)ZnCH3 species, suggesting covalent bonding to the zinc atom. From the multiple isotopic substitutions, a precise structure for HZnCH3 has been determined. The influence of the axial hydrogen atom slightly distorts the methyl group but stabilizes the Zn-C bond. This study suggests that HZnCH3 can be formed through the oxidative addition of zinc to methane in the gas phase under certain conditions. HZnCH3 is the first metal-methane insertion complex to be structurally characterized.

  19. Universal stability curve for pattern formation in pulsed gas-solid fluidized beds of sandlike particles

    de Martín, Lilian; Ottevanger, Coen; van Ommen, J. Ruud; Coppens, Marc-Olivier

    2018-03-01

    A granular layer can form regular patterns, such as squares, stripes, and hexagons, when it is fluidized with a pulsating gas flow. These structures are reminiscent of the well-known patterns found in granular layers excited through vibration, but, contrarily to them, they have been hardly explored since they were first discovered. In this work, we investigate experimentally the conditions leading to pattern formation in pulsed fluidized beds and the dimensionless numbers governing the phenomenon. We show that the onset to the instability is universal for Geldart B (sandlike) particles and governed by the hydrodynamical parameters Γ =ua/(utϕ ¯) and f /fn , where ua and f are the amplitude and frequency of the gas velocity, respectively, ut is the terminal velocity of the particles, ϕ ¯ is the average solids fraction, and fn is the natural frequency of the bed. These findings suggest that patterns emerge as a result of a parametric resonance between the kinematic waves originating from the oscillating gas flow and the bulk dynamics. Particle friction plays virtually no role in the onset to pattern formation, but it is fundamental for pattern selection and stabilization.

  20. The gas phase structure of α -pinene, a main biogenic volatile organic compound

    Neeman, Elias M.; Avilés Moreno, Juan Ramón; Huet, Thérèse R.

    2017-12-01

    The gas phase structure of the bicyclic atmospheric aerosol precursor α-pinene was investigated employing a combination of quantum chemical calculation and Fourier transform microwave spectroscopy coupled to a supersonic jet expansion. The very weak rotational spectra of the parent species and all singly substituted 13C in natural abundance have been identified, from 2 to 20 GHz, and fitted to Watson's Hamiltonian model. The rotational constants were used together with geometrical parameters from density functional theory and ab initio calculations to determine the rs, r0, and rm(1 ) structures of the skeleton, without any structural assumption in the fit concerning the heavy atoms. The double C=C bond was found to belong to a quasiplanar skeleton structure containing 6 carbon atoms. Comparison with solid phase structure is reported. The significant differences of α-pinene in gas phase and other gas phase bicyclic monoterpene structures (β-pinene, nopinone, myrtenal, and bicyclo[3.1.1]heptane) are discussed.

  1. Characterizing the correlations between local phase fractions of gas-liquid two-phase flow with wire-mesh sensor.

    Tan, C; Liu, W L; Dong, F

    2016-06-28

    Understanding of flow patterns and their transitions is significant to uncover the flow mechanics of two-phase flow. The local phase distribution and its fluctuations contain rich information regarding the flow structures. A wire-mesh sensor (WMS) was used to study the local phase fluctuations of horizontal gas-liquid two-phase flow, which was verified through comparing the reconstructed three-dimensional flow structure with photographs taken during the experiments. Each crossing point of the WMS is treated as a node, so the measurement on each node is the phase fraction in this local area. An undirected and unweighted flow pattern network was established based on connections that are formed by cross-correlating the time series of each node under different flow patterns. The structure of the flow pattern network reveals the relationship of the phase fluctuations at each node during flow pattern transition, which is then quantified by introducing the topological index of the complex network. The proposed analysis method using the WMS not only provides three-dimensional visualizations of the gas-liquid two-phase flow, but is also a thorough analysis for the structure of flow patterns and the characteristics of flow pattern transition. This article is part of the themed issue 'Supersensing through industrial process tomography'. © 2016 The Author(s).

  2. Topological phase transition in the quench dynamics of a one-dimensional Fermi gas

    Wang, Pei; Yi, Wei; Xianlong, Gao

    2014-01-01

    We study the quench dynamics of a one-dimensional ultracold Fermi gas in an optical lattice potential with synthetic spin-orbit coupling. At equilibrium, the ground state of the system can undergo a topological phase transition and become a topological superfluid with Majorana edge states. As the interaction is quenched near the topological phase boundary, we identify an interesting dynamical phase transition of the quenched state in the long-time limit, characterized by an abrupt change of t...

  3. Phase diagram of a polarized Fermi gas across a Feshbach resonance in a potential trap

    Yi, W.; Duan, L.-M.

    2006-01-01

    We map out the detailed phase diagram of a trapped ultracold Fermi gas with population imbalance across a wide Feshbach resonance. We show that under the local density approximation, the properties of the atoms in any (anisotropic) harmonic traps are universally characterized by three dimensionless parameters: the normalized temperature, the dimensionless interaction strength, and the population imbalance. We then discuss the possible quantum phases in the trap, and quantitatively characterize their phase boundaries in various typical parameter regions

  4. Gas-phase Crystallization of Titanium Dioxide Nanoparticles

    Ahonen, P.P.; Moisala, A.; Tapper, U.; Brown, D.P.; Jokiniemi, J.K.; Kauppinen, E.I.

    2002-01-01

    We have investigated the development of crystal morphology and phase in ultrafine titanium dioxide particles. The particles were produced by a droplet-to-particle method starting from propanolic titanium tetraisopropoxide solution, and calcined in a vertical aerosol reactor in air. Mobility size classified 40-nm diameter particles were conveyed to the aerosol reactor to investigate particle size changes at 20-1200 deg. C with 5-1-s residence time. In addition, polydisperse particles were used to study morphology and phase formation by electron microscopy. According to differential mobility analysis, the particle diameter was reduced to 21-23-nm at 600 deg. C and above. Precursor decomposition occurred between 20 deg. C and 500 deg. C. The increased mobility particle size at 700 deg. C and above was observed to coincide with irregular particles at 700 deg. C and 800 deg. C and faceted particles between 900 deg. C and 1200 deg. C, according to transmission electron microscopy. The faceted anatase particles were observed to approach a minimized surface energy by forming {101} and {001} crystallographic surfaces. Anatase phase was observed at 500-1200 deg. C and above 600 deg. C the particles were single crystals. Indications of minor rutile formation were observed at 1200 deg. C. The relatively stable anatase phase vs. temperature is attributed to the defect free structure of the observed particles and a lack of crystal-crystal attachment points

  5. Active stabilization of a Michelson interferometer at an arbitrary phase with subnanometer resolution.

    Grassani, Davide; Galli, Matteo; Bajoni, Daniele

    2014-04-15

    We report on the active stabilization of a Michelson interferometer at an arbitrary phase angle with a precision better than 1° at λ=632.8  nm, which corresponds to a precision in the optical path difference between the two arms of less than 1 nm. The stabilization method is ditherless, and the error signal is computed from the spatial shift of the interference pattern of a reference laser, measured in real-time with a CCD array detector. We discuss the usefulness of this method for nanopositioning, optical interferometry, and quantum optical experiments.

  6. Polyethylene Glycol Based Graphene Aerogel Confined Phase Change Materials with High Thermal Stability.

    Fu, Yang; Xiong, Weilai; Wang, Jianying; Li, Jinghua; Mei, Tao; Wang, Xianbao

    2018-05-01

    Polyethylene glycol (PEG) based graphene aerogel (GA) confined shaped-stabilized phase change materials (PCMs) are simply prepared by a one-step hydrothermal method. Three-dimensional GA inserted by PEG molecule chains, as a supporting material, obtained by reducing graphene oxide sheets, is used to keep their stabilized shape during a phase change process. The volume of GA is obviously expended after adding PEG, and only 9.8 wt% of GA make the composite achieve high energy efficiency without leakage during their phase change because of hydrogen bonding widely existing in the GA/PEG composites (GA-PCMs). The heat storage energy of GA-PCMs is 164.9 J/g, which is 90.2% of the phase change enthalpy of pure PEG. In addition, this composite inherits the natural thermal properties of graphene and thus shows enhanced thermal conductivity compared with pure PEG. This novel study provides an efficient way to fabricate shape-stabilized PCMs with a high content of PEG for thermal energy storage.

  7. Flow measurement in two-phase (gas-liquid) systems

    Hewitt, G.F.; Whalley, P.B.

    1980-01-01

    The main methods of measuring mass flow and quality in gas-liquid flows in industrial situations are reviewed. These include gamma densitometry coupled with differential pressure devices such as crifice plates, turbine flow meters and drag screens. For each method the principle of operation, and the advantages and disadvantages, are given. Some further techniques which are currently being investigated and developed for routine use are also described briefly. Finally the detailed flow measurements possible on a particular flow pattern - annular flow - is examined. (author)

  8. Thermodynamic Evaluation of LSCF Cathode Stability and Tolerance towards Gas Impurities

    Zhang, Weiwei; Chen, Ming; Hendriksen, Peter Vang

    2014-01-01

    for intermediate-temperature solid oxide fuel cells. Despite its technological importance, the phase stability of the LSCF perovskite has not yet been fully mapped out and may be critical for the use of the materials during long-term operation. For cells with LSCF or LSCF/CGO (CGO: gadolinia doped ceria) cathodes......Strontium and iron co-doped lanthanum cobaltites (La1-xSrxCo1-yFeyO3-δ, LSCF) show good oxygen ion and electronic conductivity and fast oxygen surface exchange kinetics at temperatures between 600 and 800 °C, and is considered today one of the most promising class of cathode materials...

  9. Probing the Binding Interfaces of Protein Complexes Using Gas-Phase H/D Exchange Mass Spectrometry

    Mistarz, Ulrik H; Brown, Jeffery M; Haselmann, Kim F

    2016-01-01

    Fast gas-phase hydrogen/deuterium exchange mediated by ND3 gas and measured by mass spectrometry (gas-phase HDX-MS) is a largely unharnessed, fast, and sensitive method for probing primary- and higher-order polypeptide structure. Labeling of heteroatom-bound non-amide hydrogens in a sub-milliseco......Fast gas-phase hydrogen/deuterium exchange mediated by ND3 gas and measured by mass spectrometry (gas-phase HDX-MS) is a largely unharnessed, fast, and sensitive method for probing primary- and higher-order polypeptide structure. Labeling of heteroatom-bound non-amide hydrogens in a sub......-millisecond time span after electrospray ionization by ND3 gas can provide structural insights into protein conformers present in solution. Here, we have explored the use of gas-phase HDX-MS for probing the higher-order structure and binding interfaces of protein complexes originating from native solution...

  10. On the stability of localized drift modes in the boundary layers of high density gas insulated plasmas

    Ohlsson, D.

    1977-11-01

    Gas blanket systems are of interest for mainly two reasons. First, plasma wall interaction effects are expected to be considerably reduced due to the presence of the surrounding neutral gas. Consequently the impurity radiation due to impurities originating from plasma wall interaction processes is probably eliminated to a large extent. Second, the fueling of a future thermonuclear reactor can take place in a natural way in gas blanket systems in the sense that neutrals can diffuse inwards at a suitable rate to replace burnt fuel under certain conditions. In this analysis we consider certain stability aspects of plasmas surrounded by neutral gas. In particular we consider the stability of localized collisional drift modes, in the cool partially ionized boundary regions. In these regions large pressure gradients are expected due to plasma neutral gas interaction effects. It is concluded that stability is possible within certain parameter ranges due to the presence of several stabilizing effects associated with finite Larmor radius and viscosity effects and coupling between dissipative effects directly or indirectly connected with plasma neutral gas interaction processes

  11. Collision induced dissociation of protonated N-nitrosodimethylamine by ion trap mass spectrometry: Ultimate carcinogens in gas phase

    Kulikova, Natalia; Baker, Michael; Gabryelski, Wojciech

    2009-12-01

    Collision induced dissociation of protonated N-nitrosodimethylamine (NDMA) and isotopically labeled N-nitrosodimethyl-d6-amine (NDMA-d6) was investigated by sequential ion trap mass spectrometry to establish mechanisms of gas phase reactions leading to intriguing products of this potent carcinogen. The fragmentation of (NDMA + H+) occurs via two dissociation pathways. In the alkylation pathway, homolytic cleavage of the N-O bond of N-dimethyl, N'-hydroxydiazenium ion generates N-dimethyldiazenium distonic ion which reacts further by a CH3 radical loss to form methanediazonium ion. Both methanediazonium ion and its precursor are involved in ion/molecule reactions. Methanediazonium ion showed to be capable of methylating water and methanol molecules in the gas phase of the ion trap and N-dimethyldiazenium distonic ion showed to abstract a hydrogen atom from a solvent molecule. In the denitrosation pathway, a tautomerization of N-dimethyl, N'-hydroxydiazenium ion to N-nitrosodimethylammonium intermediate ion results in radical cleavage of the N-N bond of the intermediate ion to form N-dimethylaminium radical cation which reacts further through [alpha]-cleavage to generate N-methylmethylenimmonium ion. Although the reactions of NDMA in the gas phase are different to those for enzymatic conversion of NDMA in biological systems, each activation method generates the same products. We will show that collision induced dissociation of N-nitrosodiethylamine (NDEA) and N-nitrosodipropylamine (NDPA) is also a feasible approach to gain information on formation, stability, and reactivity of alkylating agents originating from NDEA and NDPA. Investigating such biologically relevant, but highly reactive intermediates in the condensed phase is hampered by the short life-times of these transient species.

  12. Exceptionally High Proton and Lithium Cation Gas-Phase Basicity of the Anti-Diabetic Drug Metformin.

    Raczyńska, Ewa D; Gal, Jean-François; Maria, Pierre-Charles; Michalec, Piotr; Zalewski, Marcin

    2017-11-16

    Substituted biguanides are known for their biological effect, and a few of them are used as drugs, the most prominent example being metformin (1,1-dimethylbiguanide, IUPAC name: N,N-dimethylimidodicarbonimidic diamide). Because of the presence of hydrogen atoms at the amino groups, biguanides exhibit a multiple tautomerism. This aspect of their structures was examined in detail for unsubstituted biguanide and metformin in the gas phase. At the density functional theory (DFT) level {essentially B3LYP/6-311+G(d,p)}, the most stable structures correspond to the conjugated, push-pull, system (NR 2 )(NH 2 )C═N-C(═NH)NH 2 (R = H, CH 3 ), further stabilized by an internal hydrogen bond. The structural and energetic aspects of protonation and lithium cation adduct formation of biguanide and metformin was examined at the same level of theory. The gas-phase protonation energetics reveal that the more stable tautomer is protonated at the terminal imino C═NH site, still with an internal hydrogen bond maintaining the structure of the neutral system. The calculated proton affinity and gas-phase basicity of the two molecules reach the domain of superbasicity. By contrast, the lithium cation prefers to bind the less stable, not fully conjugated, tautomer (NR 2 )C(═NH)-NH-C(═NH)NH 2 of biguanides, in which the two C═NH groups are separated by NH. This less stable form of biguanides binds Li + as a bidentate ligand, in agreement with what was reported in the literature for other metal cations in the solid phase. The quantitative assessment of resonance in biguanide, in metformin and in their protonated forms, using the HOMED and HOMA indices, reveals an increase in electron delocalization upon protonation. On the contrary, the most stable lithium cation adducts are less conjugated than the stable neutral biguanides, because the metal cation is better coordinated by the not-fully conjugated bidentate tautomer.

  13. Cold flame on Biofilm - Transport of Plasma Chemistry from Gas to Liquid Phase

    Kong, Michael

    2014-10-01

    One of the most active and fastest growing fields in low-temperature plasma science today is biological effects of gas plasmas and their translation in many challenges of societal importance such as healthcare, environment, agriculture, and nanoscale fabrication and synthesis. Using medicine as an example, there are already three FDA-approved plasma-based surgical procedures for tissue ablation and blood coagulation and at least five phase-II clinical trials on plasma-assisted wound healing therapies. A key driver for realizing the immense application potential of near room-temperature ambient pressure gas plasmas, commonly known as cold atmospheric plasmas or CAP, is to build a sizeable interdisciplinary knowledge base with which to unravel, optimize, and indeed design how reactive plasma species interact with cells and their key components such as protein and DNA. Whilst a logical objective, it is a formidable challenge not least since existing knowledge of gas discharges is largely in the gas-phase and therefore not directly applicable to cell-containing matters that are covered by or embedded in liquid (e.g. biofluid). Here, we study plasma inactivation of biofilms, a jelly-like structure that bacteria use to protect themselves and a major source of antimicrobial resistance. As 60--90% of biofilm is made of water, we develop a holistic model incorporating physics and chemistry in the upstream CAP-generating region, a plasma-exit region as a buffer for as-phase transport, and a downstream liquid region bordering the gas buffer region. A special model is developed to account for rapid chemical reactions accompanied the transport of gas-phase plasma species through the gas-liquid interface and for liquid-phase chemical reactions. Numerical simulation is used to illustrate how key reactive oxygen species (ROS) are transported into the liquid, and this is supported with experimental data of both biofilm inactivation using plasmas and electron spin spectroscopy (ESR

  14. Phase stability of superconductive Y1Ba2Cu4O8

    Hegde, M.S.; Kumaraswamy, B.V.; Pandey, S.P.; Narlikar, A.V.

    1997-01-01

    The stability of the 124 superconductive phase YBa 2 Cu 4 O 8 upon exposure to air and saturated humidity at ambient temperature has been studied by thermogravimetry, X-ray diffraction, and ac susceptometry. Extent of phase conversion was monitored by TG and confirmed by XRD and ac susceptometry. 124 samples upon prolonged exposure to air were found to be no longer phase-pure, with partial conversion to 123 and CuO. On oxygen annealing, reconversion of 123 + GuO to 124 was observed. However, upon prolonged exposure to saturated humid conditions, phase-pure 124 dissociated irreversibly into 211, GuO, and a highly disordered 124-like structure with planar defects along many hkl indices and was found to be nonsuperconducting even up to 60 K

  15. Phase stability in wear-induced supersaturated Al-Ti solid solution

    Watanabe, Y.; Yokoyama, K. [Dept. of Functional Machinery Mechanics Shinshu Univ., Ueda (Japan); Hosoda, H. [Precision and Intelligence Lab., Tokyo Inst. of Tech., Nagatsuta, Midori-ku, Yokohama (Japan)

    2002-07-01

    Al-Ti supersaturated solid solutions were introduced by wear testing and the rapid quenching of an Al/Al{sub 3}Ti composite (part of an Al/Al{sub 3}Ti functionally graded material) that was fabricated using the centrifugal method. The phase stability of the supersaturated solid solution was studied through systematic annealing of the supersaturated solid solution. It was found that the Al-Ti supersaturated solid solution decomposed into Al and Al{sub 3}Ti intermetallic compound phases during the heat treatment. The Al-Ti supersaturated solid solutions fabricated were, therefore, not an equilibrium phase, and thus decomposed into the equilibrium phases during heat treatment. It was also found that heat treatment leads to a significant hardness increase for the Al-Ti supersaturated solid solution. Finally, it was concluded that formation of the wear-induced supersaturated solid solution layer was a result of severe plastic deformation. (orig.)

  16. In Situ Environmental TEM in Imaging Gas and Liquid Phase Chemical Reactions for Materials Research.

    Wu, Jianbo; Shan, Hao; Chen, Wenlong; Gu, Xin; Tao, Peng; Song, Chengyi; Shang, Wen; Deng, Tao

    2016-11-01

    Gas and liquid phase chemical reactions cover a broad range of research areas in materials science and engineering, including the synthesis of nanomaterials and application of nanomaterials, for example, in the areas of sensing, energy storage and conversion, catalysis, and bio-related applications. Environmental transmission electron microscopy (ETEM) provides a unique opportunity for monitoring gas and liquid phase reactions because it enables the observation of those reactions at the ultra-high spatial resolution, which is not achievable through other techniques. Here, the fundamental science and technology developments of gas and liquid phase TEM that facilitate the mechanistic study of the gas and liquid phase chemical reactions are discussed. Combined with other characterization tools integrated in TEM, unprecedented material behaviors and reaction mechanisms are observed through the use of the in situ gas and liquid phase TEM. These observations and also the recent applications in this emerging area are described. The current challenges in the imaging process are also discussed, including the imaging speed, imaging resolution, and data management. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. DFT Study of dimers of dimethyl sulfoxide in gas phase

    Reza Fazaeli

    2014-10-01

    Full Text Available Density functional (DFT calculations at M05-2x/aug-cc-pVDZ level were used to analyze the interactions between dimethyl sulfoxide (DMSO dimers. The structures obtained have been ana-lyzed with the Atoms in Molecules (AIMs and Natural Bond Orbital (NBO methodologies. Four minima were located on the potential energy surface of the dimers. Three types of interac-tions are observed, CH•••O, CH•••S hydrogen bonds and orthogonal interaction between the lone pair of the oxygen with the electron-deficient region of the sulfur atom. Stabilization energies of dimers including BSSE and ZPE are in the range 27–40 kJmol-1. The most stable conformers of dimers at DFT level is cyclic structure with antiparallel orientation of S=O groups pairing with three C–H∙∙∙O and a S∙∙∙O interactions.

  18. Gas-phase chemistry of element 114, flerovium

    Yakushev Alexander

    2016-01-01

    Full Text Available Element 114 was discovered in 2000 by the Dubna-Livermore collaboration, and in 2012 it was named flerovium. It belongs to the group 14 of the periodic table of elements. A strong relativistic stabilisation of the valence shell 7s27p21/2 is expected due to the orbital splitting and the contraction not only of the 7s2 but also of the spherical 7p21/2 closed subshell, resulting in the enhanced volatility and inertness. Flerovium was studied chemically by gas-solid chromatography upon its adsorption on a gold surface. Two experimental results on Fl chemistry have been published so far. Based on observation of three atoms, a weak interaction of flerovium with gold was suggested in the first study. Authors of the second study concluded on the metallic character after the observation of two Fl atoms deposited on gold at room temperature.

  19. Thermodynamic stability of driven open systems and control of phase separation by electro-autocatalysis.

    Bazant, Martin Z

    2017-07-01

    Motivated by the possibility of electrochemical control of phase separation, a variational theory of thermodynamic stability is developed for driven reactive mixtures, based on a nonlinear generalization of the Cahn-Hilliard and Allen-Cahn equations. The Glansdorff-Prigogine stability criterion is extended for driving chemical work, based on variations of nonequilibrium Gibbs free energy. Linear stability is generally determined by the competition of chemical diffusion and driven autocatalysis. Novel features arise for electrochemical systems, related to controlled total current (galvanostatic operation), concentration-dependent exchange current (Butler-Volmer kinetics), and negative differential reaction resistance (Marcus kinetics). The theory shows how spinodal decomposition can be controlled by solo-autocatalytic charge transfer, with only a single faradaic reaction. Experimental evidence is presented for intercalation and electrodeposition in rechargeable batteries, and further applications are discussed in solid state ionics, electrovariable optics, electrochemical precipitation, and biological pattern formation.

  20. Phase Behavior, Thermal Stability and Rheological Properties of PPEK/PC Blends

    2002-01-01

    Phase behavior, thermal stability and rheological properties of the blends of poly(phthalazinone ether ketone) (PPEK)with bisphenol-A polycarbonate (PC) prepared by solution coprecipitation were studied using differential scanning calorimetry (DSC), Frourier-Transform IR spectroscopy (FT-IR), thermogravimetric analysis (TGA) and capillary rheometer. The DSC results indicated that PPEK/PC blends are almost immiscible in full compositions. FT-IR investigation showed that there were no apparent specific interactions between the constituent polymers. The blends keep excellent thermal stability and the addition of PC degrades the thermal stability of blends to some degree. The thermal degradation processes of the blends are much similar to that of PC. The studies on rheological properties of blends show that blending PPEK with PC is beneficial to reducing the melt viscosity and improving the appearance of PPEK.

  1. Western Wind and Solar Integration Study Phase 3 – Frequency Response and Transient Stability

    Miller, N. W. [GE Energy Management, Schenectady, NY (United States); Shao, M. [GE Energy Management, Schenectady, NY (United States); Pajic, S. [GE Energy Management, Schenectady, NY (United States); D' Aquila, R. [GE Energy Management, Schenectady, NY (United States)

    2014-12-01

    Power system operators and utilities worldwide have concerns about the impact of high-penetration wind and solar generation on electric grid reliability (EirGrid 2011b, Hydro-Quebec 2006, ERCOT 2010). The stability of North American grids under these conditions is a particular concern and possible impediment to reaching future renewable energy goals. Phase 3 of the Western Wind and Solar Integration Study (WWSIS-3) considers a 33% wind and solar annual energy penetration level that results in substantial changes to the characteristics of the bulk power system, including different power flow patterns, different commitment and dispatch of existing synchronous generation, and different dynamic behavior of wind and solar generation. WWSIS-3 evaluates two specific aspects of fundamental frequency system stability: frequency response and transient stability.

  2. Modelling gas migration in compacted bentonite: GAMBIT Club Phase 2. Final report

    Swift, B.T.; Hoch, A.R.; Rodwell, W.R. [AEA Technology (United Kingdom)

    2001-01-01

    This report describes the second phase of a programme of work to develop a computational model of gas migration through highly compacted bentonite. Experimental data that have appeared since the earlier report are reviewed for the additional information they might provide on the mechanism of gas migration in bentonite. Experiments carried out by Horseman and Harrigton (British Geological Survey) continued to provide the main data sets used in model evaluation. The earlier work (POSIVA Report 98-08) had resulted in a preliminary model of gas migration whose main features are gas invasion by microcrack propagation, and dilation of the pathways formed with increasing gas pressure. New work was carried out to further explore the capabilities of this model. In addition, a feature was added to the model to simulate gas pathway creation by water displacement rather than crack propagation. The development of a new alternative gas migration model is described. This is based on a volume-averaged representation of gas migration rather than on a description of flow in discrete pathways. Evaluation of this alternative model showed that it can produce similar agreement with experimental results to the other models examined. The implications of flow geometry, confining conditions and flow boundary conditions on gas migration behaviour in bentonite are reviewed. Proposals are made for the development of the new model into a tool for simulating gas migration through a bentonite buffer around a waste canister, and for possible enhancements to the model that might remove some of its currently perceived deficiencies. (orig.)

  3. Modelling gas migration in compacted bentonite: gambit club phase 3. Final report

    Hoch, A.R.; Cliffe, K.A.; Swift, B.T.; Rodwell, W.R.

    2004-04-01

    This report describes the third phase of a programme of work to develop a computational model of gas migration through highly compacted water-saturated bentonite. One difficulty with this endeavour is the definitive determination of the mechanism of the gas migration from the available experimental data. The report contains a brief review of the experimental data and their interpretation. The model development work reported involves the investigation of two ways of enhancing a model proposed in the previous phase of the programme. This model was based on the concept that gas migration pathways were created by consolidating the clay fabric by application of gas pressure to create porosity through which the gas could flow. The two developments of this model that are separately explored in this work are: (a) The incorporation of a proper treatment of the stress-strain behaviour of the clay in (b) response to gas migration. The previous model had only considered stress effects through simple volume changes to the clay fabric. The inclusion of a dual-porosity feature into the model in an attempt to address the role that the clay fabric might play in gas migration through the clay, in particular the role that pre-existing interstack voids might have in gas migration. The consideration of hysteresis effects was also included in this study. As in previous GAMBIT Club work, the models are tested against the results of laboratory experiments. (orig.)

  4. Droplet model of pyrocarbon deposition from the gas phase. [HTGR

    Linke, J; Koizlik, K; Luhleich, H; Nickel, H

    1975-01-15

    Based on extensive earlier work a model has been developed to describe the formation of carbon by pyrolysis of gaseous hydrocarbons. One of the central statements of this model is the assumption of the existence of a quasi liquid carbon phase during deposition process.This model is described and is discussed as are the consequences for the material properties and structural parameters which arise from it. To review the droplet model, statically deposited pyrocarbon is examined by characterization methods suitable to analyze just these structural parameters.The results prove the model conceptions to be realistic.

  5. Microstructure and phase stability of W-Cr alloy prepared by spark plasma sintering

    Vilémová, Monika; Illková, Ksenia; Lukáč, František; Matějíček, Jiří; Klečka, Jakub; Leitner, J.

    2018-01-01

    Roč. 127, February (2018), s. 173-178 ISSN 0920-3796 R&D Projects: GA ČR(CZ) GA17-23964S Institutional support: RVO:61389021 Keywords : Tungsten-chromium alloy * Phase stability * Decomposition * Thermal conductivity * Self-passivating alloys * Spark plasma sintering Subject RIV: JJ - Other Materials OBOR OECD: Materials engineering Impact factor: 1.319, year: 2016 https://www.sciencedirect.com/science/article/pii/S092037961830005X

  6. Phase stability, elasticity, and theoretical strength of polonium from first principles

    Legut, Dominik; Friák, Martin; Šob, Mojmír

    2010-01-01

    Roč. 81, č. 21 (2010), 214118/1/-214118/19/ ISSN 1098-0121 R&D Projects: GA AV ČR IAA100100920; GA MŠk(CZ) OC10008 Institutional research plan: CEZ:AV0Z20410507 Keywords : polonium * phase stability * elasticity * theoretical strength * ab initio calculations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.772, year: 2010

  7. Stochastic description of cascade size effects on phase stability under irradiation

    Martin, G.; Bellon, P.

    1988-01-01

    Cascade size may affect phase stability under irradiation because of two distinct contributions: the replacement to displacement cross section ratio depends on the deposited energy density; ballistic jumps which tend to disorder ordere compounds occur by bursts (of size b), while thermal jumps which restored long range order occur one by one. The latter effect cannot be handled by standard rate theory. A stochastic treatment of the problem, based on a Fokker Planck approximation of the relevant master equation is summarized. It is shown that the possible values of the long range order parameter under irradiation are not affected by the size b of the bursts, but that the respective stability of the former is b dependent. As a consequence, the stability diagram of phases under irradiation varies with b. Such a diagram is computed for the Ni 4 Mo system where three structures are competing: the disordered solid solution, D1 a and DO 23 . A broadening by 100K of the stability domain of the short range ordered structure to the expense of the long range ordered one is predicted when increasing b from 1 to 100. The stochastic potentials introduced in the present treatment are by no means free energies of some constrained state. They can however be computed in a mean field type approximation. 23 refs

  8. On the stability analysis of flexible rotors supported by Hybrid Aerostatic - Gas Journal Bearings

    Morosi, Stefano; Santos, Ilmar

    Modern turbo-machinery applications, high speed machine tools, laboratory equipment require nowadays ever-growing rotational speeds and high degree of precision and reliability. Gas journal bearing have been in many extents employed as they meet the demands of performing at high speeds, in clean...... environment and great efficiency. However, the drawback are inherent poor carrying capacity and dynamic characteristics of passive systems, which often translate to a reduced range of stability. In order to enhance these characteristics, one solution is to combine the hydrodynamic effect with the addition...... form of the compressible Reynolds equation for active lubrication is derived. Particular attention is given to the injections terms and a comparison is carried on between fully nonlinear and linearized expressions. By solving this equation, stiffness and damping coefficients can be determined...

  9. Tritium Accounting Stability of a ZrCo Bed with 'In-Bed' Gas Flowing Calorimetry

    Hayashi, Takumi; Suzuki, Takumi; Yamada, Masayuki; Nishi, Masataka

    2005-01-01

    Zirconium-Cobalt (ZrCo) tritium storage bed with 'in-bed' gas flowing calorimetry has been developed as a self-assaying system for the Tritium Storage and Delivery System of ITER. The basic tritium accounting characteristics have been investigated and practical data on the accounting stability has been accumulated under gram level tritium storage for more than 8 years. The initial sensitivity of tritium was about 0.05 g and the accuracy (standard deviation of repeat measurements: two sigma) was about 0.15 g at full tritium storage of 25 g. This initial accounting performance has been maintained after tritium storage for more than 8 years by keeping constant accounting conditions at each inventory measurement. Almost no aging effect of tritium was found except accumulation of 3 He in the primary ZrCo tritide vessel, which was easily evacuated to keep initial accounting condition before each inventory measurement

  10. On the thermal stability of a radiating gas under general differential approximation

    Bestman, A.R.

    1988-02-01

    The thermal stability of a radiating gas in a semi-infinite space is studied under a general differential approximation. The fluid is bounded on the axis z'=0 by a horizontal infinite wall maintained at a temperature T 0 which is high enough for radiative heat transfer to be significant. At z'=∞, the fluid is at uniform temperature T ∞ such that T 0 >T ∞ . The equations of motion under small perturbation theory reduce to a set of linear homogeneous equations with a variable coefficient subject to homogeneous boundary conditions when the unperturbed temperature is adopted as the independent variable. The solution is effected via a finite difference scheme and the Rayleigh number is determined by Newton's iterative method. (author). 8 refs

  11. Market chances for innovative natural gas applications. The determination of market potential by means of a phase model

    Hoelen, Q.E.J.J.M.; Klootwijk, M.

    2000-01-01

    Innovative applications of natural gas can increase the sale of natural gas, support energy companies in the development of commercial activities, and contribute to energy efficiency measures. The Dutch natural gas trading company Gasunie supports those developments by investigating the market potential of innovative gas appliances. Use is made of the so-called Phase Model for Market Introduction, developed by Kea Consult

  12. Non-equilibrium phase stabilization versus bubble nucleation at a nanoscale-curved Interface

    Schiffbauer, Jarrod; Luo, Tengfei

    Using continuum dynamic van der Waals theory in a radial 1D geometry with a Lennard-Jones fluid model, we investigate the nature of vapor bubble nucleation near a heated, nanoscale-curved convex interface. Vapor bubble nucleation and growth are observed for interfaces with sufficiently large radius of curvature while phase stabilization of a superheated fluid layer occurs at interfaces with smaller radius. The hypothesis that the high Laplace pressure required for stable equilibrium of very small bubbles is responsible for phase stability is tested by effectively varying the parameter which controls liquid-vapor surface tension. In doing so, the liquid-vapor surface tension- hence Laplace pressure-is shown to have limited effect on phase stabilization vs. bubble nucleation. However, the strong dependence of nucleation on leading-order momentum transport, i.e. viscous dissipation, near the heated inner surface is demonstrated. We gratefully acknowledge ND Energy for support through the ND Energy Postdoctoral Fellowship program and the Army Research Office, Grant No. W911NF-16-1-0267, managed by Dr. Chakrapani Venanasi.

  13. Microstructural study on gamma phase stability in U-9 wt% Mo alloy system

    Saify, M.T.; Jha, S.K.; Hussain, M.M.; Singh, R.P.; Neogy, S.; Srivastava, D.; Dey, G.K.

    2009-01-01

    Uranium exists in three polymorphic forms viz., orthorhombic α phase - stable up to 667 deg C, tetragonal β phase - stable between 667 deg C and 771 deg C and bcc γ phase - stable above 771 deg C. When alloying of uranium is done, the alloying additions alter the temperature ranges over which the α, β and γ phases are stable. In addition, they frequently retard the rates at which phase transformations occur. As a result, a number of metastable phases can be obtained in uranium alloys. It has been well known among reactor designers that a pure uranium metal is not suitable for power reactor fuel mainly because of (i) phase changes occurring at lower temperatures and (ii) poor irradiation behavior of α phase. γ phase uranium alloys containing small amount of another metal to stabilize the γ-U solid solution provides good prospects in this respect. U-Mo alloy is one of the prospective materials for low enrichment uranium fuel with high U loading because a solid solution of Mo in the γ-U phase possesses acceptable irradiation and mechanical properties and is formed over a wide range of Mo concentration. In the present work vacuum induction melted and cast U-9 wt% Mo alloy was subjected to different thermo mechanical processing to investigate the stability of the γ phase. The as cast alloy was rolled at 550 deg C and then homogenized at 1000 deg C in the γ phase field for 24 hours followed by (i) water quenching and (ii) furnace cooling to generate two different starting conditions. Two of the water-quenched samples were aged at 500 deg C for 5 days and 14 days and one as-rolled sample was aged at 500 deg C for 5 days. The as-cast, as-rolled, homogenized and aged samples were subjected to optical microscopy and X-ray Diffraction (XRD) investigations. All the samples were also subjected to microhardness measurements. The as cast sample contained predominantly the gamma phase along with inclusions. After homogenizing the alloy at 1000 deg C and quenching in

  14. Controlling the position of a stabilized detonation wave in a supersonic gas mixture flow in a plane channel

    Levin, V. A.; Zhuravskaya, T. A.

    2017-03-01

    Stabilization of a detonation wave in a stoichiometric hydrogen-air mixture flowing at a supersonic velocity into a plane symmetric channel with constriction has been studied in the framework of a detailed kinetic mechanism of the chemical interaction. Conditions ensuring the formation of a thrust-producing f low with a stabilized detonation wave in the channel are determined. The inf luence of the inf low Mach number, dustiness of the combustible gas mixture supplied to the channel, and output cross-section size on the position of a stabilized detonation wave in the f low has been analyzed with a view to increasing the efficiency of detonation combustion of the gas mixture. It is established that thrust-producing flow with a stabilized detonation wave can be formed in the channel without any energy consumption.

  15. Photoresponse of the protonated Schiff-base retinal chromophore in the gas phase

    Toker, Jonathan; Rahbek, Dennis Bo; Kiefer, H V

    2013-01-01

    The fragmentation, initiated by photoexcitation as well as collisionally-induced excitation, of several retinal chromophores was studied in the gas phase. The chromophore in the protonated Schiff-base form (RPSB), essential for mammalian vision, shows a remarkably selective photoresponse. The sel......The fragmentation, initiated by photoexcitation as well as collisionally-induced excitation, of several retinal chromophores was studied in the gas phase. The chromophore in the protonated Schiff-base form (RPSB), essential for mammalian vision, shows a remarkably selective photoresponse...... modifications of the chromophore. We propose that isomerizations play an important role in the photoresponse of gas-phase retinal chromophores and guide internal conversion through conical intersections. The role of protein interactions is then to control the specificity of the photoisomerization in the primary...

  16. Radical Reactions in the Gas Phase: Recent Development and Application in Biomolecules

    Yang Gao

    2014-01-01

    Full Text Available This review summarizes recent literature describing the use of gas phase radical reactions for structural characterization of complex biomolecules other than peptides. Specifically, chemical derivatization, in-source chemical reaction, and gas phase ion/ion reactions have been demonstrated as effective ways to generate radical precursor ions that yield structural informative fragments complementary to those from conventional collision-induced dissociation (CID. Radical driven dissociation has been applied to a variety of biomolecules including peptides, nucleic acids, carbohydrates, and phospholipids. The majority of the molecules discussed in this review see limited fragmentation from conventional CID, and the gas phase radical reactions open up completely new dissociation channels for these molecules and therefore yield high fidelity confirmation of the structures of the target molecules. Due to the extensively studied peptide fragmentation, this review focuses only on nonpeptide biomolecules such as nucleic acids, carbohydrates, and phospholipids.

  17. Measurement of pressure fluctuation in gas-liquid two-phase vortex street

    Sun Zhiqiang; Sang Wenhui; Zhang Hongjian

    2009-01-01

    The pressure fluctuation in the wake is an important parameter to characterize the shedding process of gas-liquid two-phase Karman vortex street. This paper investigated such pressure fluctuations in a horizontal pipe using air and water as the tested fluid media. The dynamic signal representing the pressure fluctuation was acquired by the duct-wall differential pressure method. Results show that in the wake of the gas-liquid two-phase Karman vortex street, the frequency of the pressure fluctuation is linear with the Reynolds number when the volume void fraction is within the range of 18%. Moreover, the mean amplitude of the pressure fluctuation decreases with the volume void fraction, and the mean amplitude is larger at higher water flowrates under the same volume void fraction. These findings contribute to an in-depth understanding of the gas-liquid two-phase Karman vortex street.

  18. Molecular structure determination of cyclooctane by Ab Initio and electron diffraction methods in the gas phase

    Almeida, Wagner B. de

    2000-01-01

    The determination of the molecular structure of molecules is of fundamental importance in chemistry. X-rays and electron diffraction methods constitute in important tools for the elucidation of the molecular structure of systems in the solid state and gas phase, respectively. The use of quantum mechanical molecular orbital ab initio methods offer an alternative for conformational analysis studies. Comparison between theoretical results and those obtained experimentally in the gas phase can make a significant contribution for an unambiguous determination of the geometrical parameters. In this article the determination for an unambiguous determination of the geometrical parameters. In this article the determination of the molecular structure of the cyclooctane molecule by electron diffraction in the gas phase an initio calculations will be addressed, providing an example of a comparative analysis of theoretical and experimental predictions. (author)

  19. Metal-Organic Framework Thin Films as Stationary Phases in Microfabricated Gas-Chromatography Columns.

    Read, Douglas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sillerud, Colin Halliday [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-01-01

    The overarching goal of this project is to integrate Sandia's microfabricated gas-chromatography ( GC) columns with a stationary phase material that is capable of retaining high-volatility chemicals and permanent gases. The successful integration of such a material with GCs would dramatically expand the repertoire of detectable compounds for Sandia's various microanalysis systems. One such promising class of candidate materials is metal-organic frameworks (MOFs). In this report we detail our methods for controlled deposition of HKUST-1 MOF stationary phases within GC columns. We demonstrate: the chromatographic separation of natural gas; a method for determining MOF film thickness from chromatography alone; and the first-reported GC x GC separation of natural gas -- in general -- let alone for two disparate MOF stationary phases. In addition we determine the fundamental thermodynamic constant for mass sorption, the partition coefficient, for HKUST-1 and several light hydrocarbons and select toxic industrial chemicals.

  20. Thermal characteristics of shape-stabilized phase change material wallboard with periodical outside temperature waves

    Zhou, Guobing; Yang, Yongping; Wang, Xin; Cheng, Jinming

    2010-01-01

    Thermal characteristics of shape-stabilized phase change material (SSPCM) wallboard with sinusoidal temperature wave on the outer surface were investigated numerically and compared with traditional building materials such as brick, foam concrete and expanded polystyrene (EPS). One-dimensional enthalpy equation under convective boundary conditions was solved using fully implicit finite-difference scheme. The simulation results showed that the SSPCM wallboard presents distinct characteristics from other ordinary building materials. Phase transition keeping time of inner surface and decrement factor were applied to analyze the effects of PCM thermophysical properties (melting temperature, heat of fusion, phase transition zone and thermal conductivity), inner surface convective heat transfer coefficient and thickness of SSPCM wallboard. It was found that melting temperature is one important factor which influences both the phase transition keeping time and the decrement factor; for a certain outside temperature wave, there exist critical values of latent heat of fusion and thickness of SSPCM above which the phase transition keeping time or the decrement factor are scarcely influenced; thermal conductivity of PCM and inner surface convective coefficient have little effect on the phase transition keeping time but significantly influence the decrement factor; and the phase transition zone leads to small fluctuations of the original flat segment of inner surface temperature line. The results aim to be useful for the selection of SSPCMs and their applications in passive solar buildings.

  1. First-principles thermodynamics study of phase stability in inorganic halide perovskite solid solutions

    Bechtel, Jonathon S.; Van der Ven, Anton

    2018-04-01

    Halide substitution gives rise to a tunable band gap as a function of composition in halide perovskite materials. However, photoinduced phase segregation, observed at room temperature in mixed halide A Pb (IxBr1-x) 3 systems, limits open circuit voltages and decreases photovoltaic device efficiencies. We investigate equilibrium phase stability of orthorhombic P n m a γ -phase CsM (XxY1-x) 3 perovskites where M is Pb or Sn, and X and Y are Br, Cl, or I. Finite-temperature phase diagrams are constructed using a cluster expansion effective Hamiltonian parameterized from first-principles density-functional-theory calculations. Solid solution phases for CsM (IxBr1-x) 3 and CsM (BrxCl1-x) 3 are predicted to be stable well below room temperature while CsM (IxCl1-x) 3 systems have miscibility gaps that extend above 400 K. The height of the miscibility gap correlates with the difference in volume between end members. Also layered ground states are found on the convex hull at x =2 /3 for CsSnBr2Cl ,CsPbI2Br , and CsPbBrCl2. The impact of these ground states on the finite temperature phase diagram is discussed in the context of the experimentally observed photoinduced phase segregation.

  2. Stability of superfluid phases in the 2D spin-polarized attractive Hubbard model

    Kujawa-Cichy, A.; Micnas, R.

    2011-08-01

    We study the evolution from the weak coupling (BCS-like limit) to the strong coupling limit of tightly bound local pairs (LPs) with increasing attraction, in the presence of the Zeeman magnetic field (h) for d=2, within the spin-polarized attractive Hubbard model. The broken symmetry Hartree approximation as well as the strong coupling expansion are used. We also apply the Kosterlitz-Thouless (KT) scenario to determine the phase coherence temperatures. For spin-independent hopping integrals (t↑=t↓), we find no stable homogeneous polarized superfluid (SCM) state in the ground state for the strong attraction and obtain that for a two-component Fermi system on a 2D lattice with population imbalance, phase separation (PS) is favoured for a fixed particle concentration, even on the LP (BEC) side. We also examine the influence of spin-dependent hopping integrals (mass imbalance) on the stability of the SCM phase. We find a topological quantum phase transition (Lifshitz type) from the unpolarized superfluid phase (SC0) to SCM and tricritical points in the h-|U| and t↑/t↓-|U| ground-state phase diagrams. We also construct the finite temperature phase diagrams for both t↑=t↓ and t↑≠t↓ and analyze the possibility of occurrence of a spin-polarized KT superfluid.

  3. Liquid-gas phase transition in asymmetric nuclear matter at finite temperature

    Maruyama, Toshiki; Tatsumi, Toshitaka; Chiba, Satoshi

    2010-01-01

    Liquid-gas phase transition is discussed in warm asymmetric nuclear matter. Some peculiar features are figured out from the viewpoint of the basic thermodynamics about the phase equilibrium. We treat the mixed phase of the binary system based on the Gibbs conditions. When the Coulomb interaction is included, the mixed phase is no more uniform and the sequence of the pasta structures appears. Comparing the results with those given by the simple bulk calculation without the Coulomb interaction, we extract specific features of the pasta structures at finite temperature.

  4. Liquid-gas phase transition in asymmetric nuclear matter at finite temperature

    Maruyama, Toshiki; Tatsumi, Toshitaka; Chiba, Satoshi

    2010-03-01

    Liquid-gas phase transition is discussed in warm asymmetric nuclear matter. Some peculiar features are figured out from the viewpoint of the basic thermodynamics about the phase equilibrium. We treat the mixed phase of the binary system based on the Gibbs conditions. When the Coulomb interaction is included, the mixed phase is no more uniform and the sequence of the pasta structures appears. Comparing the results with those given by the simple bulk calculation without the Coulomb interaction, we extract specific features of the pasta structures at finite temperature.

  5. Single-phase and two-phase gas-liquid turbulent mixing between subchannels in a simulated rod bundle

    Sadatomi, Michio; Kawahara, Akimaro; Sato, Yoshifusa; Tomino, Takayoshi.

    1996-01-01

    This study is concerned with turbulent mixing which is one of the three mechanisms of cross flows between subchannels in a nuclear fuel rod bundle. The channel used in this experiments was a vertical simulated rod bundle having two subchannels connected through 1 to 3 gaps between two rods and/or rod and channel wall. The number of the gaps was changed to investigate the effect of the number on the turbulent mixing. Turbulent mixing rates of air and water and fluctuations of pressure difference between the subchannels were measured for single-phase and two-phase gas-liquid flows under hydrodynamic equilibrium flow conditions. It has been confirmed that the turbulent mixing rate is affected strongly by the fluctuations especially for liquid phase in two-phase slug or churn flow. (author)

  6. Effect of Al doping on phase formation and thermal stability of iron nitride thin films

    Tayal, Akhil [Amity Center for Spintronic Materials, Amity University, Sector 125, Noida 201 303 (India); Gupta, Mukul, E-mail: mgupta@csr.res.in [Amity Center for Spintronic Materials, Amity University, Sector 125, Noida 201 303 (India); Pandey, Nidhi [Amity Center for Spintronic Materials, Amity University, Sector 125, Noida 201 303 (India); Gupta, Ajay [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 001 (India); Horisberger, Michael [Laboratory for Developments and Methods, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Stahn, Jochen [Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland)

    2015-11-25

    In the present work, we systematically studied the effect of Al doping on the phase formation of iron nitride (Fe–N) thin films. Fe–N thin films with different concentration of Al (Al = 0, 2, 3, 6, and 12 at.%) were deposited using dc magnetron sputtering by varying the nitrogen partial pressure between 0 and 100%. The structural and magnetic properties of the films were studied using x-ray diffraction and polarized neutron reflectivity. It was observed that at the lowest doping level (2 at.% of Al), nitrogen rich non-magnetic Fe–N phase gets formed at a lower nitrogen partial pressure as compared to the un-doped sample. Interestingly, we observed that as Al doping is increased beyond 3 at.%, nitrogen rich non-magnetic Fe–N phase appears at higher nitrogen partial pressure as compared to un-doped sample. The thermal stability of films were also investigated. Un-doped Fe–N films deposited at 10% nitrogen partial pressure possess poor thermal stability. Doping of Al at 2 at.% improves it marginally, whereas, for 3, 6 and 12 at.% Al doping, it shows significant improvement. The obtained results have been explained in terms of thermodynamics of Fe–N and Al–N. - Highlights: • Doping effects of Al on Fe–N phase formation is studied. • Phase formation shows a non-monotonic behavior with Al doping. • Low doping levels of Al enhance and high levels retard the nitridation process. • Al doping beyond 3 at.% improve thermal stability of Fe–N films.

  7. Gas adsorption/absorption heat switch, phase 1

    Chan, C. K.

    1987-01-01

    The service life and/or reliability of far-infrared sensors on surveillance satellites is presently limited by the cryocooler. The life and/or reliability, however, can be extended by using redundant cryocoolers. To reduce parasitic heat leak, each stage of the inactive redundant cryocooler must be thermally isolated from the optical system, while each stage of the active cryocooler must be thermally connected to the system. The thermal break or the thermal contact can be controlled by heat switches. Among different physical mechanisms for heat switching, mechanically activated heat switches tend to have low reliability and, furthermore, require a large contact force. Magnetoresistive heat switches are, except at very low temperatures, of very low efficiency. Heat switches operated by the heat pipe principle usually require a long response time. A sealed gas gap heat switch operated by an adsorption pump has no mechanical motion and should provide the reliability and long lifetime required in long-term space missions. Another potential application of a heat switch is the thermal isolation of the optical plane during decontamination.

  8. Synthesis gas demonstration plant program, Phase I. Site confirmation report

    1978-12-01

    With few reservations, the Baskett, Kentucky site exhibits the necessary characteristics to suggest compatibility with the proposed Synthesis Gas Demonstration Plant Project. An evaluation of a broad range of technical disciplinary criteria in consideration of presently available information indicated generally favorable conditions or, at least, conditions which could be feasibly accommodated in project design. The proximity of the Baskett site to market areas and sources of raw materials as well as a variety of transportation facilities suggests an overall favorable impact on Project economic feasibility. Two aspects of environmental engineering, however, have been identified as areas where the completion or continuation of current studies are required before removing all conditions on site suitability. The first aspect involves the current contradictory status of existing land use and planning ordinances in the site area. Additional investigation of the legality of, and local attitudes toward, these present plans is warranted. Secondly, terrestrial and aquatic surveys of plant and animal life species in the site area must be completed on a seasonal basis to confirm the preliminary conclusion that no exclusionary conditions exist.

  9. SU-E-T-410: Fringe Stability and Phase Shift Measurements in a Michelson Interferometer for Optical Calorimetry

    Flores-Martinez, E; Malin, M; DeWerd, L

    2014-01-01

    Purpose: To identify the variables limiting the resolution of a Michelson interferometer used to measure phase shifts (PS) in water as part of a radiometric calorimeter. Methods: We investigated the output stability of a He-Ne laser and a laser diode. The short and long term stability of the fringe pattern in a Michelson interferometer was tested with different types of lasers, thermal insulation arrangements, damping systems and optical mounts to optimize system performance. PS were induced by electrically heating water in a 1 cm quartz cuvette located in one of the interferometer arms. The PS was calculated from fringe intensity changes and compared to a calculated PS using thermocouple-measured temperature changes in the water. Results: The intensity of the laser diode is more stable, but the gas laser’s profile is more suitable for fringe analysis and has better temporal coherence. The laser requires a warm-up time of 4 hours before its output is stabilized (SNR>95). The fringe’s stability strongly depends on the thermal insulation. When the interferometer is exposed to ambient temperature swings of 0.7 K, it is not possible to stabilize the fringe pattern. Enclosing the system in a 2.5 cm-thick Styrofoam box improves the SNR, but further insulation will be needed to increase the SNR above 50. High frequency noise is significantly reduced by damping the system.Inducing a temperature rise in water, starting at 299 K, the average temperature increase for a 2π PS is 0.29 ± 0.02 K and the proportionality constant is -21.1 ± 0.8 radians/K. This is 5.8% lower than the calculated value using the thermocouple. Conclusion: Interferometric PS measurements of temperature may provide an alternative to thermistors for water calorimetry. The resolution of the current prototype is limited by ambient temperature stability. Calculated and measured thermally-induced PS in water agreed to within 5.8%

  10. Analysis of Kinetic Parameter Effect on Reactor Operation Stability of the RSG-GAS Reactor

    Rokhmadi

    2007-01-01

    Kinetic parameter has influence to behaviour on RSG-GAS reactor operation. In this paper done is the calculation of reactivity curve, period-reactivity relation and low power transfer function in silicide fuel. This parameters is necessary and useful for reactivity characteristic analysis and reactor stability. To know the reactivity response, it was done reactivity insertion at power 1 watt using POKDYN code because at this level of power no feedback reactivity so important for reactor operation safety. The result of calculation showed that there is no change of significant a period-reactivity relation and transfer function at low power for 2.96 gU/cc, 3.55 gU/cc and 4.8 gU/cc density of silicide fuels. The result of the transfer function at low power showed that the reactor is critical stability with no feedback. The result of calculation also showed that reactivity response no change among three kinds of fuel densities. It can be concluded that from kinetic parameter point of view period-reactivity relation, transfer function at low power, and reactivity response are no change reactor operation from reactivity effect when fuel exchanged. (author)

  11. A gas-phase reactor powered by solar energy and ethanol for H2 production

    Ampelli, Claudio; Genovese, Chiara; Passalacqua, Rosalba; Perathoner, Siglinda; Centi, Gabriele

    2014-01-01

    In the view of H 2 as the future energy vector, we presented here the development of a homemade photo-reactor working in gas phase and easily interfacing with fuel cell devices, for H 2 production by ethanol dehydrogenation. The process generates acetaldehyde as the main co-product, which is more economically advantageous with respect to the low valuable CO 2 produced in the alternative pathway of ethanol photoreforming. The materials adopted as photocatalysts are based on TiO 2 substrates but properly modified with noble (Au) and not-noble (Cu) metals to enhance light harvesting in the visible region. The samples were characterized by BET surface area analysis, Transmission Electron Microscopy (TEM) and UV–visible Diffusive Reflectance Spectroscopy, and finally tested in our homemade photo-reactor by simulated solar irradiation. We discussed about the benefits of operating in gas phase with respect to a conventional slurry photo-reactor (minimization of scattering phenomena, no metal leaching, easy product recovery, etc.). Results showed that high H 2 productivity can be obtained in gas phase conditions, also irradiating titania photocatalysts doped with not-noble metals. - Highlights: • A gas-phase photoreactor for H 2 production by ethanol dehydrogenation was developed. • The photocatalytic behaviours of Au and Cu metal-doped TiO 2 thin layers are compared. • Benefits of operating in gas phase with respect to a slurry reactor are presented. • Gas phase conditions and use of not-noble metals are the best economic solution

  12. Probing the nuclear liquid-gas phase transition

    Pochodzalla, J.; Moehlenkamp, T.; Rubehn, T.; Schuettauf, A.; Zude, E.; Begemann-Blaich, M.; Blaich, T.; Emling, H.; Ferrero, A.; Kunze, W.D.; Lindenstruth, V.; Lynen, U.; Moroni, W.; Ocker, B.; Schwarz, C.; Seidel, W.; Serfling, V.; Trzcinski, A.; Tucholski, A.; Verde, G.

    1995-02-01

    Fragment distributions resulting from Au+Au collisions at an incident energy of E/A=600 MeV are studied. From the measured fragment and neutron distributions the mass and the excitation energy of the decaying pre-fragments were determined. A temperature scale was derived from observed yield ratios of He and Li isotopes. The relation between this isotope temperature and the excitation energy of the system exhibits a behavior which is expected for a phase transition. The nuclear vapor regime takes over at an excitation energy of 10 MeV per nucleon, a temperature of 5 MeV and may be characterized by a density of 0.15-0.3 normal nuclear density. (orig.)

  13. Shock structure in continuum models of gas dynamics: stability and bifurcation analysis

    Simić, Srboljub S

    2009-01-01

    The problem of shock structure in gas dynamics is analysed through a comparative study of two continuum models: the parabolic Navier–Stokes–Fourier model and the hyperbolic system of 13 moments equations modeling viscous, heat-conducting monatomic gases within the context of extended thermodynamics. When dissipative phenomena are neglected these models both reduce to classical Euler's equations of gas dynamics. The shock profile solution, assumed in the form of a planar travelling wave, reduces the problem to a system of ordinary differential equations, and equilibrium states appear to be stationary points of the system. It is shown that in both models an upstream equilibrium state suffers an exchange of stability when the shock speed crosses the critical value which coincides with the highest characteristic speed of the Euler's system. At the same time a downstream equilibrium state could be seen as a steady bifurcating solution, while the shock profile represents a heteroclinic orbit connecting the two stationary points. Using centre manifold reduction it is demonstrated that both models, although mathematically different, obey the same transcritical bifurcation pattern in the neighbourhood of the bifurcation point corresponding to the critical value of shock speed, the speed of sound

  14. Surface modification and stability of detonation nanodiamonds in microwave gas discharge plasma

    Stanishevsky, Andrei V.; Walock, Michael J.; Catledge, Shane A.

    2015-01-01

    Graphical abstract: - Highlights: • Single and binary gas plasma modification of nanodiamond powders studied. • Temperature-dependent effect of N 2 and N 2 /H 2 plasma reported for the first time. • Role of H 2 in H 2 /N 2 and H 2 /O 2 plasma modification of nanodiamond discussed. - Abstract: Detonation nanodiamonds (DND), with low hydrogen content, were exposed to microwave plasma generated in pure H 2 , N 2 , and O 2 gases and their mixtures, and investigated using X-ray diffraction (XRD), Fourier Transform Infrared (FTIR), Raman, and X-ray photoelectron spectroscopies. Considerable alteration of the DND surface was observed under the plasma conditions for all used gases, but the diamond structure of the DND particle core was preserved in most cases. The stabilizing effect of H 2 in H 2 /N 2 and H 2 /O 2 binary gas plasmas on the DND structure and the temperature-dependent formation of various CNH x surface groups in N 2 and H 2 /N 2 plasmas were observed and discussed for the first time. DND surface oxidation and etching were the main effects of O 2 plasma, whereas the N 2 plasma led to DND surfaces rich in amide groups below 1073 K and nitrile groups at higher temperatures. Noticeable graphitization of the DND core structure was detected only in N 2 plasma when the substrate temperature was above 1103 K.

  15. Research in Korea on Gas Phase Synthesis and Control of Nanoparticles

    Choi, Mansoo

    2001-01-01

    Research activity into the gas phase synthesis of nanoparticles has witnessed rapid growth on a worldwide basis, which is also reflected by Korean research efforts. Nanoparticle research is inherently a multi-disciplinary activity involving both science and engineering. In this paper, the recent studies undertaken in Korea on the gas phase synthesis and control of nanoparticles are reviewed. Studies on the synthesis of various kinds of nanoparticles are first discussed with a focus on the different types of reactors used. Recent experimental and theoretical studies and newly developed methods of measuring and modeling nanoparticle growth are also reviewed

  16. Direct gas-phase epoxidation of propylene to propylene oxide through radical reactions: A theoretical study

    Kizilkaya, Ali Can; Fellah, Mehmet Ferdi; Onal, Isik

    2010-03-01

    The gas-phase radical chain reactions which utilize O 2 as the oxidant to produce propylene oxide (PO) are investigated through theoretical calculations. The transition states and energy profiles were obtained for each path. The rate constants were also calculated. The energetics for the competing pathways indicate that PO can be formed selectively due to its relatively low activation barrier (9.3 kcal/mol) which is in a good agreement with the experimental value (11 kcal/mol) of gas-phase propylene epoxidation. The formation of the acrolein and combustion products have relatively high activation barriers and are not favored. These results also support the recent experimental findings.

  17. Acrolein Production by Gas-Phase Glycerol Dehydration Using PO₄/Nb₂O5 Catalysts.

    Lee, Kyu Am; Ryoo, HeeKyoung; Ma, Byung Chol; Kim, Youngchul

    2018-02-01

    In this study, modified niobium oxide were prepared to study the addictive effects on the catalytic performance for gas-phase glycerol dehydration. The catalysts were characterized by N2 adsorption/desorption, XRD, NH3-TPD, FT-IR. The amount of phosphoric acid was up to 50 wt% in niobium. As a result, the highest glycerol conversion was achieved over 20 wt% PO4/Nb2O5. It indicates that the optimal amount of phosphoric acid leads the catalyst to have appropriate acidity which is an important factor for gas-phase glycerol dehydration.

  18. Laser spectroscopy of a halocarbocation in the gas phase: CH2I+.

    Tao, Chong; Mukarakate, Calvin; Reid, Scott A

    2006-07-26

    We report the first gas-phase observation of the electronic spectrum of a simple halocarbocation, CH2I+. The ion was generated rotationally cold (Trot approximately 20 K) using pulsed discharge methods and was detected via laser spectroscopy. The identity of the spectral carrier was confirmed by modeling the rotational contour observed in the excitation spectra and by comparison of ground state vibrational frequencies determined by single vibronic level emission spectroscopy with Density Functional Theory (DFT) predictions. The transition was assigned as 3A1 gas phase should open new avenues for study of the structure and reactivity of these important ions.

  19. Gas phase THz spectroscopy of toxic agent simulant compounds using the AILES synchrotron beamline

    Cuisset, A.; Smirnova, I.; Bocquet, R.; Hindle, F.; Mouret, G.; Yang, C.; Pirali, O.; Roy, P.

    2010-02-01

    A new study is currently underway aiming at recording and assigning the gas phase rovibrational spectra of several organophosphorus and organosulphur compounds in the THz frequency domain. Thanks to the exceptional properties of flux, brilliance and spectral range of the AILES beamline coupled to the FTIR spectrometer, the gas phase vibrational spectra of low volatility organophosphorous compounds have been recorded across the entire THz frequency range. High resolution FTIR spectroscopy was used to record the pure rotational and the low-frequency rovibrational spectrum of DMSO. A comparison between the spectra measured with the AILES beamline and the spectra obtained with optoelectronic THz sources is possible.

  20. Studies of gas phase ion/molecule reactions by Fourier transform ion cyclotron resonance mass spectrometry

    Kleingeld, J.C.

    1984-01-01

    An important field in which Fourier-transform ion cyclotron resonance has useful applications is that of gas phase ion chemistry, the subject of this thesis. First, the general picture of ion-molecule reactions in the gas phase is discussed. Next, some positive ion-molecule reactions are described, whereas the remaining chapters deal with negative ion-molecule reactions. Most of these studies have been performed using the FT-ICR method. Reactions involving H 3 O - and NH 4 - ions are described whereas the other chapters deal with larger organic complexes. (Auth.)

  1. Parents of two-phase flow and theory of “gas-lift”

    Zitek Pavel

    2014-03-01

    Full Text Available This paper gives a brief overview of types of two-phase flow. Subsequently, it deals with their mutual division and problems with accuracy boundaries among particular types. It also shows the case of water flow through a pipe with external heating and the gradual origination of all kinds of flow. We have met it in solution of safety condition of various stages in pressurized and boiling water reactors. In the MSR there is a problem in the solution of gas-lift using helium as a gas and its secondary usage for clearing of the fuel mixture from gaseous fission products. Theory of gas-lift is described.

  2. Parents of two-phase flow and theory of "gas-lift"

    Zitek, Pavel; Valenta, Vaclav

    2014-03-01

    This paper gives a brief overview of types of two-phase flow. Subsequently, it deals with their mutual division and problems with accuracy boundaries among particular types. It also shows the case of water flow through a pipe with external heating and the gradual origination of all kinds of flow. We have met it in solution of safety condition of various stages in pressurized and boiling water reactors. In the MSR there is a problem in the solution of gas-lift using helium as a gas and its secondary usage for clearing of the fuel mixture from gaseous fission products. Theory of gas-lift is described.

  3. Correlation between Thermal Treatment and Phase Transformation in Nanocrystalline Stabilized Zirconia

    Tajudeen Oladele AHMED

    2013-06-01

    Full Text Available Stabilized zirconia produced via wet chemistry has chemically higher uniformity and purity. However, the grain size, particle shape, agglomerate size and specific surface area can be modified within certain degree by controlling the precipitation and sintering conditions. Generally, any physical or chemical difference between phases or effect occurring on the appearance or disappearance of a phase can be determined via thermal analysis and X-ray Diffractometry coupled with electron microscopy. In the last few decades, these materials have received tremendous attention globally in the field of defect solid-state devices. However, the challenge in this field of research has been to study thermal behaviour of these electrolytes during phase transformations and develop improved electrolytes with low activation temperature in the range of 600°C-800°C. In this paper, we report the wet chemistry of bismuth oxide stabilized zirconia having high experimental yield and low transformation temperature. Thus, the phase transformation from amorphous Zirconia to monoclinic is reported to begin above 600oC to an optimum temperature of 700oC. After calcination at 800oC for 4h, the powder have narrow particle size distribution in the range of 63-101µm. The average crystallite sizes of the synthesized powders range from 8-33nm.

  4. Collagen films with stabilized liquid crystalline phases and concerns on osteoblast behaviors

    Tang, Minjian; Ding, Shan; Min, Xiang; Jiao, Yanpeng, E-mail: tjiaoyp@jnu.edu.cn; Li, Lihua; Li, Hong; Zhou, Changren, E-mail: tcrz9@jnu.edu.cn

    2016-01-01

    To duplicate collagen's in vivo liquid crystalline (LC) phase and investigate the relationship between the morphology of LC collagen and osteoblast behavior, a self-assembly method was introduced for preparing collagen films with a stabilized LC phase. The LC texture and topological structure of the films before and after stabilization were observed with polarizing optical microscopy, scanning electron microscopy (SEM), and atomic force microscopy (AFM). The relationship between the collagen films and osteoblast behavior was studied with the 3-(4,5)-dimethylthiahiazo(-z-y1)-3,5-di-phenytetrazoliumromide method, proliferation index detection, alkaline phosphatase measurements, osteocalcin assay, inverted microscopy, SEM observation, AFM observation, and cytoskeleton fluorescence staining. The results showed that the LC collagen film had continuously twisting orientations in the cholesteric phase with a typical series of arced patterns. The collagen fibers assembled in a well-organized orientation in the LC film. Compared to the non-LC film, the LC collagen film can promote cell proliferation, and increase ALP and osteocalcin expression, revealing a contact guide effect on osteoblasts. - Highlights: • Collagen film with liquid crystalline (LC) phase was observed by POM, SEM and AFM. • The effect of LC collagen film on osteoblasts behaviors was studied in detail. • LC collagen film promoted osteoblast proliferation and osteogenesis activity.

  5. Molecular simulation of excess isotherm and excess enthalpy change in gas-phase adsorption.

    Do, D D; Do, H D; Nicholson, D

    2009-01-29

    We present a new approach to calculating excess isotherm and differential enthalpy of adsorption on surfaces or in confined spaces by the Monte Carlo molecular simulation method. The approach is very general and, most importantly, is unambiguous in its application to any configuration of solid structure (crystalline, graphite layer or disordered porous glass), to any type of fluid (simple or complex molecule), and to any operating conditions (subcritical or supercritical). The behavior of the adsorbed phase is studied using the partial molar energy of the simulation box. However, to characterize adsorption for comparison with experimental data, the isotherm is best described by the excess amount, and the enthalpy of adsorption is defined as the change in the total enthalpy of the simulation box with the change in the excess amount, keeping the total number (gas + adsorbed phases) constant. The excess quantities (capacity and energy) require a choice of a reference gaseous phase, which is defined as the adsorptive gas phase occupying the accessible volume and having a density equal to the bulk gas density. The accessible volume is defined as the mean volume space accessible to the center of mass of the adsorbate under consideration. With this choice, the excess isotherm passes through a maximum but always remains positive. This is in stark contrast to the literature where helium void volume is used (which is always greater than the accessible volume) and the resulting excess can be negative. Our definition of enthalpy change is equivalent to the difference between the partial molar enthalpy of the gas phase and the partial molar enthalpy of the adsorbed phase. There is no need to assume ideal gas or negligible molar volume of the adsorbed phase as is traditionally done in the literature. We illustrate this new approach with adsorption of argon, nitrogen, and carbon dioxide under subcritical and supercritical conditions.

  6. Phase stability and fracture toughness of t' ZrO2 stabilised with MO1.5 (M=Yb and Gd) for thermal barrier application

    Loganathan, Archana; Gandhi, Ashutosh S.

    2010-01-01

    Thermal Barrier coatings (TBC's) protect the gas turbine blades at high temperature exposure. The t' phase is metastable and slowly transforms to the high-temperature equilibrium state consisting of tetragonal (t) and cubic (c) during high temperature exposure. Nanometric grain size also influences the fracture toughness and t' stability. A comparative study of the phase stability and fracture toughness evolution of Yb and Gd stabilized zirconia with composition 8 mol%MO 1.5 . The t' ZrO 2 -8mol% MO 1.5 (M = Yb and Gd) were prepared by co-precipitation method with crystallite size ∼ 20nm. Spark plasma sintering at 1250 deg C for 10 min was carried out to produce compacts with ∼ 96% relative density for fracture toughness measurements. The dense compacts were heat treated at 1250 deg C upto 192h. XRD studies revealed the partitioning of t' to t+c. No spontaneous monoclinic phase formed during cooling, except after 192h exposure. The fracture toughness of the sintered pellets with various time intervals of thermal exposure was measured. The results were analysed in terms of the effect of phase constitution on fracture toughness. The role of ferroelastic toughening in these materials was explored. (author)

  7. Iodine-frequency-stabilized laser diode and displacement-measuring interferometer based on sinusoidal phase modulation

    Duong, Quang Anh; Vu, Thanh Tung; Higuchi, Masato; Wei, Dong; Aketagawa, Masato

    2018-06-01

    We propose a sinusoidal phase modulation method to achieve both the frequency stabilization of an external-cavity laser diode (ECLD) to an 127I2 saturated absorption transition near 633 nm and displacement measurement using a Mach–Zehnder interferometer. First, the frequency of the ECLD is stabilized to the b 21 hyperfine component of the P(33) 6-3 transition of 127I2 by combining sinusoidal phase modulation by an electro-optic modulator and frequency modulation spectroscopy by chopping the pump beam using an acousto-optic modulator. Even though a small modulation index of m  =  3.768 rad is utilized, a relative frequency stability of 10‑11 order is obtained over a sampling time of 400 s. Secondly, the frequency-stabilized ECLD is applied as a light source to a Mach–Zehnder interferometer. From the two consecutive modulation harmonics (second and third orders) involved in the interferometer signal, the displacement of the moving mirror is determined for four optical path differences (L 0  =  100, 200, 500, and 1000 mm). The measured modulation indexes for the four optical path differences coincide with the designated value (3.768 rad) within 0.5%. Compared with the sinusoidal frequency modulation Michelson interferometer (Vu et al 2016 Meas. Sci. Technol. 27 105201) which was demonstrated by some of the same authors of this paper, the phase modulation Mach–Zhender interferometer could fix the modulation index to a constant value for the four optical path differences. In this report, we discuss the measurement principle, experimental system, and results.

  8. Phase stability of oxide dispersion-strengthened ferritic steels in neutron irradiation

    Yamashita, S.; Oka, K.; Ohnuki, S.; Akasaka, N.; Ukai, S.

    2002-01-01

    Oxide dispersion-strengthened ferritic steels were irradiated by neutrons up to 21 dpa and studied by microstructural observation and microchemical analysis. The original high dislocation density did not change after neutron irradiation, indicating that the dispersed oxide particles have high stability under neutron irradiation. However, there is potential for recoil resolution of the oxide particles due to ballistic ejection at high dose. From the microchemical analysis, it was implied that some of the complex oxides have a double-layer structure, such that TiO 2 occupied the core region and Y 2 O 3 the outer layer. Such a structure may be more stable than the simple mono-oxides. Under high-temperature irradiation, Laves phase was the predominant precipitate occurring at grain boundaries α phase and χ phase were not observed in this study

  9. From rice husk to high performance shape stabilized phase change materials for thermal energy storage

    Mehrali, Mohammad; Latibari, Sara Tahan; Rosen, Marc A.

    2016-01-01

    A novel shape-stabilized phase change material (SSPCM) was fabricated by using a vacuum impregnation technique. The lightweight, ultra-high specific surface area and porous activated carbon was prepared from waste material (rice husk) through the combination of an activation temperature approach...... and a sodium hydroxide activation procedure. Palmitic acid as a phase change material was impregnated into the porous carbon by a vacuum impregnation technique. Graphene nanoplatelets (GNPs) were employed as an additive for thermal conductivity enhancement of the SSPCMs. The attained composites exhibited...... exceptional phase change behavior, having a desirable latent heat storage capacity of 175 kJ kg(-1). When exposed to high solar radiation intensities, the composites can absorb and store the thermal energy. An FTIR analysis of the SSPCMs indicated that there was no chemical interaction between the palmitic...

  10. Two phases of the anyon gas and broken T symmetry

    Canright, G.S.; Rojo, A.G.

    1991-01-01

    This paper reports the first exact finite-temperature study of anyons. The authors' method is an extension to finite T of earlier numerical work with small numbers of anyons on a lattice. We study the spontaneous magnetization M 0 (T), since the signature has been identified as a key signature of broken T symmetry for anyon models. Our results confirm the two-phase picture suggested by earlier work: The authors find a low-temperature regime where M 0 is very small or zero, and a high-temperature regime where M 0 is of O(0.1 μ B ) per particle. In the high-temperature regime the authors can obtain an excellent estimate of M 0 (T) in the thermodynamic limit (which we call M 0 ∞ ). since our finite-size results extrapolate smoothly with little scatter. The authors' values for M 0 ∞ can then be compared with the results of μSR experiments on high-temperature superconductors, which set an upper experimental bound on the internal fields from such moments. The authors find that M 0 ∞ in a bulk material of many planes will almost certainly give a signal well above this threshold if (and only if) the planes are ordered ferromagnetically. In the antiferromagnetic case (which is strongly favored energetically) the signal from M 0 ∞ is probably undetectable. Finally, we estimate the transition temperature T c from our finite-size studies, obtaining a value on the order of a few hundred Kelvins

  11. Experimental on two sensors combination used in horizontal pipe gas-water two-phase flow

    Wu, Hao; Dong, Feng

    2014-01-01

    Gas-water two phase flow phenomenon widely exists in production and living and the measurement of it is meaningful. A new type of long-waist cone flow sensor has been designed to measure two-phase mass flow rate. Six rings structure of conductance probe is used to measure volume fraction and axial velocity. The calibration of them have been made. Two sensors have been combined in horizontal pipeline experiment to measure two-phase flow mass flow rate. Several model of gas-water two-phase flow has been discussed. The calculation errors of total mass flow rate measurement is less than 5% based on the revised homogeneous flow model

  12. Phase stability in thermally-aged CASS CF8 under heavy ion irradiation

    Li, Meimei, E-mail: mli@anl.gov [Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, IL 60439 (United States); Miller, Michael K. [Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831 (United States); Chen, Wei-Ying [Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, IL 60439 (United States)

    2015-07-15

    Highlights: • Thermally-aged CF8 was irradiated with 1 MeV Kr ions at 400 °C. • Atom probe tomography revealed a strong dose dependence of G-phase precipitates. • Phase separation of α and α′ in ferrite was reduced after irradiation. - Abstract: The stability of the microstructure of a cast austenitic stainless steel (CASS), before and after heavy ion irradiation, was investigated by atom probe tomography (APT). A CF8 ferrite–austenite duplex alloy was thermally aged at 400 °C for 10,000 h. After this treatment, APT revealed nanometer-sized G-phase precipitates and Fe-rich α and Cr-enriched α′ phase separated regions in the ferrite. The thermally-aged CF8 specimen was irradiated with 1 MeV Kr ions to a fluence of 1.88 × 10{sup 19} ions/m{sup 2} at 400 °C. After irradiation, APT analysis revealed a strong spatial/dose dependence of the G-phase precipitates and the α–α′ spinodal decomposition in the ferrite. For the G-phase precipitates, the number density increased and the mean size decreased with increasing dose, and the particle size distribution changed considerably under irradiation. The inverse coarsening process can be described by recoil resolution. The amplitude of the α–α′ spinodal decomposition in the ferrite was apparently reduced after heavy ion irradiation.

  13. Phase stability of TiO2 polymorphs from diffusion Quantum Monte Carlo

    Luo, Ye; Benali, Anouar; Shulenburger, Luke; Krogel, Jaron T; Heinonen, Olle; Kent, Paul R C

    2016-01-01

    Titanium dioxide, TiO 2 , has multiple applications in catalysis, energy conversion and memristive devices because of its electronic structure. Most of these applications utilize the naturally existing phases: rutile, anatase and brookite. Despite the simple form of TiO 2 and its wide uses, there is long-standing disagreement between theory and experiment on the energetic ordering of these phases that has never been resolved. We present the first analysis of phase stability at zero temperature using the highly accurate many-body fixed node diffusion Quantum Monte Carlo (QMC) method. We also include the effects of temperature by calculating the Helmholtz free energy including both internal energy and vibrational contributions from density functional perturbation theory based quasi harmonic phonon calculations. Our QMC calculations find that anatase is the most stable phase at zero temperature, consistent with many previous mean-field calculations. However, at elevated temperatures, rutile becomes the most stable phase. For all finite temperatures, brookite is always the least stable phase. (paper)

  14. An eigenstrain approach to predict phase transformation and self-accommodation in partially stabilized zirconia

    Hensl, Th.; Mühlich, U.; Budnitzki, M.; Kuna, M.

    2015-01-01

    Highlights: • Analytical model to predict phase transformation in PSZ is developed. • Analytical model to predict number of twins in monoclinic inclusions in PSZ. • Models consider inclusions size, shape, temperature, remote loading and surface energy. - Abstract: This work focuses on micromechanical modeling of the tetragonal to monoclinic phase transformation (t–m transformation) in partially stabilized zirconia (PSZ). Tetragonal particles dispersed in a cubic matrix may transform into the monoclinic phase under sufficiently high mechanical loading or if the material is cooled down below a critical temperature. This phase transformation is supposed to be responsible for the so called transformation toughening effect of PSZ. The transformation is usually accompanied by a self-accommodation process, which reduces the occurring eigenstresses in the surrounding matrix. The influences of particle size and geometry, chemical driving force, temperature, surface energy and remote loading on the t–m transformation are estimated by a thermostatic approach. We assume, that transformations occur, once the Gibbs free energy of the transformed equilibrium state is lower than that of the untransformed reference state. To obtain an analytical solution, the microstructure is modeled as an inclusion of rectangular cross section, restrained by an infinite elastic matrix, under plane strain conditions. The developed model for phase transformation captures the well-known size and temperature dependencies. Furthermore, it indicates a significant influence of the particle geometry, that large aspect ratios of the inclusion’s cross section lower the trigger stress for phase transformation

  15. Formation, stability and crystal structure of the {sigma} phase in Mo-Re-Si alloys

    Bei, H., E-mail: beih@ornl.gov [Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge, TN 37831 (United States); Yang, Y., E-mail: ying.yang@computherm.com [CompuTherm LLC, Madison, WI 53719 (United States); Viswanathan, G.B. [Air Force Research Laboratory, Wright-Patterson AFB, OH 45433 (United States); Rawn, C.J.; George, E.P. [Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge, TN 37831 (United States)] [University of Tennessee, Department of Materials Science and Engineering, Knoxville, TN 37996 (United States); Tiley, J. [Air Force Research Laboratory, Wright-Patterson AFB, OH 45433 (United States); Chang, Y.A. [CompuTherm LLC, Madison, WI 53719 (United States)] [University of Wisconsin-Madison, Madison, WI 53705 (United States)

    2010-10-15

    The formation, stability and crystal structure of the {sigma} phase in Mo-Re-Si alloys were investigated. Guided by thermodynamic calculations, six critically selected alloys were arc melted and annealed at 1600 deg. C for 150 h. Their as-cast and annealed microstructures, including phase fractions and distributions, the compositions of the constituent phases and the crystal structure of the {sigma} phase were analyzed by thermodynamic modeling coupled with experimental characterization by scanning electron microscopy, electron probe microanalysis, X-ray diffraction and transmission electron microscopy. Two key findings resulted from this work. One is the large homogeneity range of the {sigma} phase region, extending from binary Mo-Re to ternary Mo-Re-Si. The other is the formation of a {sigma} phase in Mo-rich alloys either through the peritectic reaction of liquid + Mo{sub ss} {yields} {sigma} or primary solidification. These findings are important in understanding the effects of Re on the microstructure and providing guidance on the design of Mo-Re-Si alloys.

  16. Influence of Ti in the β-Zr(Fe) phase stability at ambient temperature

    Coelho, J.S.

    1980-12-01

    Investigations of the Fe-Ti-Zr alloy system with concentrations ranging from 1 at.% Ti to 20 at.% Ti and with a fixed concentration of 4 at.% Fe were performed using X-Ray diffraction, Mossbauer Spectroscopy and Optical and Electronic Metallographies. The alloys were melted in arc furnace in argon atmosphere and after being homogenized, they were quenched from the beta field into cold water in order to retain the high temperature β-Zr(Fe)-Ti phase. The obtained results show that the beta phase was partially retained until the concentration of 7 at.% Ti and was completely retained at the concentration equal to or higher than 8 at.% Ti. It is assumed in Moessbauer Spectroscopy a doublet for the beta phase and a singlet for the supersatured α'-Zr(Fe)-Ti phase resulting from the martensitic transformation. The relative amount of each phase detected by Moessbauer Spectroscopy was measured by the relative area of the each spectral line. The stability of the beta phase at room temperature was discussed in terms of short-range ordering caused by the Fe-Ti bonds. Some related properties were discussed through the changing of the lattice parameter, isomer shift and quadrupole splitting. (Author) [pt

  17. Assessing phase stability and element distribution in Co-base superalloys at elevated temperatures by in situ TEM heating experiments

    Eggeler, Yolita; Mueller, Julian; Spiecker, Erdmann [Lehrstuhl fuer Mikro- und Nanostrukturforschung and Center for Nanoanalysis and Electron Microscopy (CENEM), Department Werkstoffwissenschaften, Universitaet Erlangen-Nuernberg, Erlangen (Germany)

    2016-07-01

    Co-based alloys, of a composition of Co-12Al-9W, form a stable two phase γ/γ{sup '} microstructure at 900 C. γ{sup '} cubes, consisting of the L12 crystal structure are coherently embedded in a solid solution fcc (A1) γ matrix. To ensure precipitate hardening at temperatures, which are relevant to practical applications, 700-1100 C, as experienced in gas turbine applications, the stability of the γ/γ{sup '} phases is of fundamental importance. In this analysis in situ TEM studies with chip-based heating systems (by DENS solution) are applied on new Co-based superalloys. After in situ heating at apr. 900 C and controlled quenching with different quenching rates the elemental distribution at the γ/γ{sup '} interface is measured using ChemiSTEM EDX. Exploiting the driving force for interface movement resulting from temperature-dependent volume fraction of γ and γ{sup '} insight into the diffusion of individual alloying elements and the relationship between local chemistry and ordering can be gained from transient phenomena. The experimental results will be compared with theoretical calculations. This work has been carried out within the framework of the SFB-TR 103 ''Single Crystal Superalloys''.

  18. The nuclear liquid-gas phase transition: Present status and future perspectives

    Pochodzalla, J.; Imme, G.; Maddalena, V.

    1996-07-01

    More than two decades ago, the van der Waals behavior of the nucleon -nucleon force inspired the idea of a liquid-gas phase transition in nuclear matter. Heavy-ion reactions at relativistic energies offer the unique possibility for studying this phase transition in a finite, hadronic system. A general overview of this subject is given emphasizing the most recent results on nuclear calorimetry. (orig.)

  19. Isospin and momentum dependence of liquid-gas phase transition in hot asymmetric nuclear matter

    Xu, Jun; Ma, Hongru; Chen, Liewen; Li, Baoan

    2008-01-01

    The liquid-gas phase transition in hot neutron-rich nuclear matter is investigated within a self-consistent thermal model using different interactions with or without isospin and/or momentum dependence. The boundary of the phase-coexistence region is shown to be sensitive to the density dependence of the nuclear symmetry energy as well as the isospin and momentum dependence of the nuclear interaction. (author)

  20. Quantitation of anticonvulsant drugs in serum by gas-chromatography on the stationary phase SP-2510.

    Godolphin, W; Thoma, J

    1978-03-01

    A new column packing, SP-2510 DA (Supelco, Inc., Bellefonte, Pa. 16823), is an excellent stationary phase for the determination of a wide variety of anticonvulsant drugs by gas--liquid chromatography without derivatization. However, when uncomplicated extraction procedures are used, serum cholesterol interferes with the determination of primidone. By the simple expedient of adding a short "pre-column" containing another phase (SP-2250 DA) the problem is overcome.

  1. The role of equilibrium volume and magnetism on the stability of iron phases at high pressures.

    Alnemrat, S; Hooper, J P; Vasiliev, I; Kiefer, B

    2014-01-29

    The present study provides new insights into the pressure dependence of magnetism by tracking the hybridization between crystal orbitals for pressures up to 600 GPa in the known hcp, bcc and fcc iron. The Birch-Murnaghan equation of state parameters are; bcc: V0 = 11.759 A(3)/atom, K0 = 177.72 GPa; hcp: V0 = 10.525 A(3)/atom, K0 = 295.16 GPa; and fcc: V0 = 10.682 A(3)/atom, K0 = 274.57 GPa. These parameters compare favorably with previous studies. Consistent with previous studies we find that the close-packed hcp and fcc phases are non-magnetic at pressures above 50 GPa and 60 GPa, respectively. The principal features of magnetism in iron are predicted to be invariant, at least up to ∼6% overextension of the equilibrium volume. Our results predict that magnetism for overextended fcc iron disappears via an intermediate spin state. This feature suggests that overextended lattices can be used to stabilize particular magnetic states. The analysis of the orbital hybridization shows that the magnetic bcc structure at high pressures is stabilized by splitting the majority and minority spin bands. The bcc phase is found to be magnetic at least up to 600 GPa; however, magnetism is insufficient to stabilize the bcc phase itself, at least at low temperatures. Finally, the analysis of the orbital contributions to the total energy provides evidence that non-magnetic hcp and fcc phases are likely more stable than bcc at core earth pressures.

  2. Isothermal phase equilibria for the (HFC-32 + HFC-134a) mixed-gas hydrate system

    Miyauchi, Hiroshi; Yasuda, Kenjiro; Matsumoto, Yuuki; Hashimoto, Shunsuke; Sugahara, Takeshi; Ohgaki, Kazunari

    2012-01-01

    Highlights: ► Structural phase transition results in the heterogeneous azeotropic-like behaviour. ► HFC-134a molecules, in spite of an s-II former, occupy the large cages of s-I. ► Negative azeotropic-like behaviour becomes more remarkable at higher temperatures. - Abstract: Isothermal phase equilibria (pressure-composition relations in hydrate, gas, and aqueous phases) in the {difluoromethane (HFC-32) + 1,1,1,2-tetrafluoroethane (HFC-134a)} mixed-gas hydrate system were measured at the temperatures 274.15 K, 279.15 K, and 283.15 K. The heterogeneous azeotropic-like behaviour derived from the structural phase transition of (HFC-32 + HFC-134a) mixed-gas hydrates appears over the whole temperature range of the present study. In addition to the heterogeneous azeotropic-like behaviour, the isothermal phase equilibrium curves of the (HFC-32 + HFC-134a) mixed-gas hydrate system exhibit the negative homogeneous azeotropic-like behaviour at temperatures 279.15 K and 283.15 K. The negative azeotropic-like behaviour, which becomes more remarkable at higher temperatures, results in the lower equilibrium pressure of (HFC-32 + HFC-134a) mixed-gas hydrates than those of both simple HFC-32 and HFC-134a hydrates. Although the HFC-134a molecule forms the simple structure-II hydrate at the temperatures, the present findings reveal that HFC-134a molecules occupy a part of the large cages of the structure-I mixed-gas hydrate.

  3. Highly Efficient Gas-Phase Oxidation of Renewable Furfural to Maleic Anhydride over Plate Vanadium Phosphorus Oxide Catalyst.

    Li, Xiukai; Ko, Jogie; Zhang, Yugen

    2018-02-09

    Maleic anhydride (MAnh) and its acids are critical intermediates in chemical industry. The synthesis of maleic anhydride from renewable furfural is one of the most sought after processes in the field of sustainable chemistry. In this study, a plate vanadium phosphorus oxide (VPO) catalyst synthesized by a hydrothermal method with glucose as a green reducing agent catalyzes furfural oxidation to MAnh in the gas phase. The plate catalyst-denoted as VPO HT -has a preferentially exposed (200) crystal plane and exhibited dramatically enhanced activity, selectivity and stability as compared to conventional VPO catalysts and other state-of-the-art catalytic systems. At 360 °C reaction temperature with air as an oxidant, about 90 % yield of MAnh was obtained at 10 vol % of furfural in the feed, a furfural concentration value that is much higher than those (<2 vol %) reported for other catalytic systems. The catalyst showed good long-term stability and there was no decrease in activity or selectivity for MAnh during the time-on-stream of 25 h. The high efficiency and catalyst stability indicate the great potential of this system for the synthesis of maleic anhydride from renewable furfural. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Gas-phase spectra of MgO molecules: a possible connection from gas-phase molecules to planet formation

    Kloska, Katherine A.; Fortenberry, Ryan C.

    2018-02-01

    A more fine-tuned method for probing planet-forming regions, such as protoplanetary discs, could be rovibrational molecular spectroscopy observation of particular premineral molecules instead of more common but ultimately less related volatile organic compounds. Planets are created when grains aggregate, but how molecules form grains is an ongoing topic of discussion in astrophysics and planetary science. Using the spectroscopic data of molecules specifically involved in mineral formation could help to map regions where planet formation is believed to be occurring in order to examine the interplay between gas and dust. Four atoms are frequently associated with planetary formation: Fe, Si, Mg and O. Magnesium, in particular, has been shown to be in higher relative abundance in planet-hosting stars. Magnesium oxide crystals comprise the mineral periclase making it the chemically simplest magnesium-bearing mineral and a natural choice for analysis. The monomer, dimer and trimer forms of (MgO)n with n = 1-3 are analysed in this work using high-level quantum chemical computations known to produce accurate results. Strong vibrational transitions at 12.5, 15.0 and 16.5 μm are indicative of magnesium oxide monomer, dimer and trimer making these wavelengths of particular interest for the observation of protoplanetary discs and even potentially planet-forming regions around stars. If such transitions are observed in emission from the accretion discs or absorptions from stellar spectra, the beginning stages of mineral and, subsequently, rocky body formation could be indicated.

  5. Gas-phase nitrosation of ethylene and related events in the C2H4NO+ landscape.

    Gerbaux, Pascal; Dechamps, Noemie; Flammang, Robert; Nam, Pham Cam; Nguyen, Minh Tho; Djazi, Fayçal; Berruyer, Florence; Bouchoux, Guy

    2008-06-19

    The C2H4NO(+) system has been examined by means of quantum chemical calculations using the G2 and G3B3 approaches and tandem mass spectrometry experiments. Theoretical investigation of the C2H4NO(+) potential-energy surface includes 19 stable C2H4NO(+) structures and a large set of their possible interconnections. These computations provide insights for the understanding of the (i) addition of the nitrosonium cation NO(+) to the ethylene molecule, (ii) skeletal rearrangements evidenced in previous experimental studies on comparable systems, and (iii) experimental identification of new C2H4NO(+) structures. It is predicted from computation that gas-phase nitrosation of ethylene may produce C2H4(*)NO(+) adducts, the most stable structure of which is a pi-complex, 1, stabilized by ca. 65 kJ/mol with respect to its separated components. This complex was produced in the gas phase by a transnitrosation process involving as reactant a complex between water and NO(+) (H2O.NO(+)) and the ethylene molecule and fully characterized by collisional experiments. Among the other C 2H 4NO (+) structures predicted by theory to be protected against dissociation or isomerization by significant energy barriers, five were also experimentally identified. These finding include structures CH3CHNO(+) (5), CH 3CNOH (+) ( 8), CH3NHCO(+) (18), CH3NCOH(+) (19), and an ion/neutral complex CH2O...HCNH(+) (12).

  6. ATM regulates Cdt1 stability during the unperturbed S phase to prevent re-replication

    Iwahori, Satoko; Kohmon, Daisuke; Kobayashi, Junya; Tani, Yuhei; Yugawa, Takashi; Komatsu, Kenshi; Kiyono, Tohru; Sugimoto, Nozomi; Fujita, Masatoshi

    2014-01-01

    Ataxia-telangiectasia mutated (ATM) plays crucial roles in DNA damage responses, especially with regard to DNA double-strand breaks (DSBs). However, it appears that ATM can be activated not only by DSB, but also by some changes in chromatin architecture, suggesting potential ATM function in cell cycle control. Here, we found that ATM is involved in timely degradation of Cdt1, a critical replication licensing factor, during the unperturbed S phase. At least in certain cell types, degradation of p27Kip1 was also impaired by ATM inhibition. The novel ATM function for Cdt1 regulation was dependent on its kinase activity and NBS1. Indeed, we found that ATM is moderately phosphorylated at Ser1981 during the S phase. ATM silencing induced partial reduction in levels of Skp2, a component of SCFSkp2 ubiquitin ligase that controls Cdt1 degradation. Furthermore, Skp2 silencing resulted in Cdt1 stabilization like ATM inhibition. In addition, as reported previously, ATM silencing partially prevented Akt phosphorylation at Ser473, indicative of its activation, and Akt inhibition led to modest stabilization of Cdt1. Therefore, the ATM-Akt-SCFSkp2 pathway may partly contribute to the novel ATM function. Finally, ATM inhibition rendered cells hypersensitive to induction of re-replication, indicating importance for maintenance of genome stability. PMID:24280901

  7. Phase stability analysis of liquid-liquid equilibrium with stochastic methods

    G. Nagatani

    2008-09-01

    Full Text Available Minimization of Gibbs free energy using activity coefficient models and nonlinear equation solution techniques is commonly applied to phase stability problems. However, when conventional techniques, such as the Newton-Raphson method, are employed, serious convergence problems may arise. Due to the existence of multiple solutions, several problems can be found in modeling liquid-liquid equilibrium of multicomponent systems, which are highly dependent on the initial guess. In this work phase stability analysis of liquid-liquid equilibrium is investigated using the NRTL model. For this purpose, two distinct stochastic numerical algorithms are employed to minimize the tangent plane distance of Gibbs free energy: a subdivision algorithm that can find all roots of nonlinear equations for liquid-liquid stability analysis and the Simulated Annealing method. Results obtained in this work for the two stochastic algorithms are compared with those of the Interval Newton method from the literature. Several different binary and multicomponent systems from the literature were successfully investigated.

  8. Oxidative potential of gas phase combustion emissions - An underestimated and potentially harmful component of air pollution from combustion processes

    Stevanovic, S.; Vaughan, A.; Hedayat, F.; Salimi, F.; Rahman, M. M.; Zare, A.; Brown, R. A.; Brown, R. J.; Wang, H.; Zhang, Z.; Wang, X.; Bottle, S. E.; Yang, I. A.; Ristovski, Z. D.

    2017-06-01

    The oxidative potential (OP) of the gas phase is an important and neglected aspect of environmental toxicity. Whilst prolonged exposure to particulate matter (PM) associated reactive oxygen species (ROS) have been shown to lead to negative health effects, the potential for compounds in gas phase to cause similar effects is yet to be understood. In this study we describe: the significance of the gas phase OP generated through vehicle emissions; discuss the origin and evolution of species contributing to measured OP; and report on the impact of gas phase OP on human lung cells. The model aerosol for this study was exhaust emitted from a Euro III Common-rail diesel engine fuelled with different blends of diesel and biodiesel. The gas phase of these emissions was found to be potentially as hazardous as the particle phase. Fuel oxygen content was found to negatively correlate with the gas phase OP, and positively correlate with particle phase OP. This signifies a complex interaction between reactive species present in gas and particle phase. Furthermore, this interaction has an overarching effect on the OP of both particle and gas phase, and therefore the toxicity of combustion emissions.

  9. The β-1,3-glucanosyltransferase Gas1 regulates Sir2-mediated rDNA stability in Saccharomyces cerevisiae.

    Ha, Cheol Woong; Kim, Kwantae; Chang, Yeon Ji; Kim, Bongkeun; Huh, Won-Ki

    2014-07-01

    In Saccharomyces cerevisiae, the stability of highly repetitive rDNA array is maintained through transcriptional silencing. Recently, a β-1,3-glucanosyltransferase Gas1 has been shown to play a significant role in the regulation of transcriptional silencing in S. cerevisiae. Here, we show that the gas1Δ mutation increases rDNA silencing in a Sir2-dependent manner. Remarkably, the gas1Δ mutation induces nuclear localization of Msn2/4 and stimulates the expression of PNC1, a gene encoding a nicotinamidase that functions as a Sir2 activator. The lack of enzymatic activity of Gas1 or treatment with a cell wall-damaging agent, Congo red, exhibits effects similar to those of the gas1Δ mutation. Furthermore, the loss of Gas1 or Congo red treatment lowers the cAMP-dependent protein kinase (PKA) activity in a cell wall integrity MAP kinase Slt2-dependent manner. Collectively, our results suggest that the dysfunction of Gas1 plays a positive role in the maintenance of rDNA integrity by decreasing PKA activity and inducing the accumulation of Msn2/4 in the nucleus. It seems that nuclear-localized Msn2/4 stimulate the expression of Pnc1, thereby enhancing the association of Sir2 with rDNA and promoting rDNA stability. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

  10. Magnetic resonance velocity imaging of liquid and gas two-phase flow in packed beds.

    Sankey, M H; Holland, D J; Sederman, A J; Gladden, L F

    2009-02-01

    Single-phase liquid flow in porous media such as bead packs and model fixed bed reactors has been well studied by MRI. To some extent this early work represents the necessary preliminary research to address the more challenging problem of two-phase flow of gas and liquid within these systems. In this paper, we present images of both the gas and liquid velocities during stable liquid-gas flow of water and SF(6) within a packing of 5mm spheres contained within columns of diameter 40 and 27 mm; images being acquired using (1)H and (19)F observation for the water and SF(6), respectively. Liquid and gas flow rates calculated from the velocity images are in agreement with macroscopic flow rate measurements to within 7% and 5%, respectively. In addition to the information obtained directly from these images, the ability to measure liquid and gas flow fields within the same sample environment will enable us to explore the validity of assumptions used in numerical modelling of two-phase flows.

  11. A modeling and experimental study of flue gas desulfurization in a dense phase tower

    Chang, Guanqin; Song, Cunyi; Wang, Li

    2011-01-01

    We used a dense phase tower as the reactor in a novel semi-dry flue gas desulfurization process to achieve a high desulfurization efficiency of over 95% when the Ca/S molar ratio reaches 1.3. Pilot-scale experiments were conducted for choosing the parameters of the full-scale reactor. Results show that with an increase in the flue gas flow rate the rate of the pressure drop in the dense phase tower also increases, however, the rate of the temperature drop decreases in the non-load hot gas. We chose a water flow rate of 0.6 kg/min to minimize the approach to adiabatic saturation temperature difference and maximize the desulfurization efficiency. To study the flue gas characteristics under different processing parameters, we simulated the desulfurization process in the reactor. The simulated data matched very well with the experimental data. We also found that with an increase in the Ca/S molar ratio, the differences between the simulation and experimental data tend to decrease; conversely, an increase in the flue gas flow rate increases the difference; this may be associated with the surface reactions caused by collision, coalescence and fragmentation between the dispersed phases.

  12. Effect of surface composition of yttrium-stabilized zirconia on partial oxidation of methane to synthesis gas.

    Zhu, J.J.; van Ommen, J.G.; Knoester, A.; Lefferts, Leonardus

    2005-01-01

    Catalytic partial oxidation of methane to synthesis gas (CPOM) over yttrium-stabilized zirconia (YSZ) was studied within a wide temperature window (500¿1100 °C). The catalysts were characterized by X-ray fluorescence (XRF) and low-energy ion scattering (LEIS). The influence of calcination

  13. Measurement of phase interaction in dispersed gas-particle two-phase flow by phase-doppler anemometry

    Mergheni Ali Mohamed; Ben Ticha Hmaied; Sautet Jen-Charles; Godard Gille; Ben Nasrallah Sassi

    2008-01-01

    For simultaneous measurement of size and velocity distributions of continuous and dispersed phases in a two-phase flow a technique phase-Doppler anemometry was used. Spherical glass particles with a particle diameter range from 102 up to 212 µm were used. In this two-phase flow an experimental results are presented which indicate a significant influence of the solid particles on the flow characteristics. The height of influence of these effects depends on the local position in the jet. Near t...

  14. Study of phase development and thermal stability in as synthesized TiO2 nanoparticles by laser pyrolysis: ethylene uptake and oxygen enrichment

    Ilie, Alina Georgiana; Scarisoreanu, Monica; Dutu, Elena; Dumitrache, Florian; Banici, Ana-Maria; Fleaca, Claudiu Teodor; Vasile, Eugenia; Mihailescu, Ion

    2018-01-01

    Laser pyrolysis has proven a viable and trustworthy method of TiO2 nanoparticles fabrication, ensuring good quality and wide variety of nanoparticle morphologies and sizes. This work is aimed to phase control, experimentally studied, by parameter modulation, during one step laser pyrolysis synthesis or in combination with thermal annealing. High phase purity anatase and rutile TiO2 nanoparticles, oxygen abundant, are synthesized from TiCl4 and C2H4 gas mixtures, in the presence of air as oxygen donor, under CO2 laser radiation. The nano-titania samples are analyzed by X-ray Diffraction, EDAX, TEM and Raman spectroscopy and reveal good phase stability and distinct morphology. This study extends the method applicability onto rutile majoritarian TiO2 synthesis and generation of thermally stable anatase titania, a well-known catalyst.

  15. Do medium heavy fragments give evidence for a liquid-gas phase transition

    Trockel, R.; Hildenbrand, K.D.; Lynen, U.; Mueller, W.F.J.; Rabe, H.J.; Sann, H.; Stelzer, H.; Wada, R.; Brummund, N.; Glasow, R.; Kampert, K.H.; Santo, R.; Pelte, D.; Pochodzalla, J.; Eckert, E.

    1985-09-01

    Light and medium heavy fragments have been measured in light ion induced reactions at intermediate energies. The energy spectra have been parametrized with moving source fits. The resulting temperatures and yields do not confirm the expectations of a liquid-gas phase transition. (orig.)

  16. Electron Attachment to the Gas Phase DNA Bases Cytosine and Thymine

    Denifl, S.; Ptasiňska, S.; Probst, M.; Hrušák, Jan; Scheier, P.; Märk, T. D.

    2004-01-01

    Roč. 108, č. 31 (2004), s. 6562-6569 ISSN 1089-5639 R&D Projects: GA ČR GA203/02/0737 Institutional research plan: CEZ:AV0Z4040901 Keywords : gas-phase * cytosine * thymine Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.639, year: 2004

  17. How Pt nanoparticles affect TiO2-induced gas-phase photocatalytic oxidation reactions

    Fraters, B.D.; Amrollahi Buky, Rezvaneh; Mul, Guido

    2015-01-01

    The effect of Pt nanoparticles on the gas-phase photocatalytic oxidation activity of TiO2 is shown to be largely dependent on the molecular functionality of the substrate. We demonstrate that Pt nanoparticles decrease rates in photocatalytic oxidation of propane, whereas a strong beneficial effect

  18. A gas phase work station for the Brazilian National Synchrotron Laboratory

    Souza, G.G.B. de

    1988-01-01

    A gas phase work station which has been proposed to the Brazilian National Synchrotron Laboratory is described with emphasis on the broad spectrum of physical and chemical processes which can be studied with the incorporated instrumentation. (A.C.A.S.) [pt

  19. The constitutive distributed parameter model of multicomponent chemical processes in gas, fluid and solid phase

    Niemiec, W.

    1985-01-01

    In the literature of distributed parameter modelling of real processes is not considered the class of multicomponent chemical processes in gas, fluid and solid phase. The aim of paper is constitutive distributed parameter physicochemical model, constructed on kinetics and phenomenal analysis of multicomponent chemical processes in gas, fluid and solid phase. The mass, energy and momentum aspects of these multicomponent chemical reactions and adequate phenomena are utilized in balance operations, by conditions of: constitutive invariance for continuous media with space and time memories, reciprocity principle for isotropic and anisotropic nonhomogeneous media with space and time memories, application of definitions of following derivative and equation of continuity, to the construction of systems of partial differential constitutive state equations, in the following derivative forms for gas, fluid and solid phase. Couched in this way all physicochemical conditions of multicomponent chemical processes in gas, fluid and solid phase are new form of constitutive distributed parameter model for automatics and its systems of equations are new form of systems of partial differential constitutive state equations in sense of phenomenal distributed parameter control

  20. Role of isospin in nuclear-matter liquid-gas phase transition

    Ducoin, C.

    2006-10-01

    Nuclear matter presents a phase transition of the liquid-gas type. This well-known feature is due to the nuclear interaction profile (mean-range attractive, short-range repulsive). Symmetric-nuclear-matter thermodynamics is thus analogous to that of a Van der Waals fluid. The study shows up to be more complex in the case of asymmetric matter, composed of neutrons and protons in an arbitrary proportion. Isospin, which distinguishes both constituents, gives a measure of this proportion. Studying asymmetric matter, isospin is an additional degree of freedom, which means one more dimension to consider in the space of observables. The nuclear liquid-gas transition is associated with the multi-fragmentation phenomenon observed in heavy-ion collisions, and to compact-star physics: the involved systems are neutron rich, so they are affected by the isospin degree of freedom. The present work is a theoretical study of isospin effects which appear in the asymmetric nuclear matter liquid-gas phase transition. A mean-field approach is used, with a Skyrme nuclear effective interaction. We demonstrate the presence of a first-order phase transition for asymmetric matter, and study the isospin distillation phenomenon associated with this transition. The case of phase separation at thermodynamic equilibrium is compared to spinodal decomposition. Finite size effects are addressed, as well as the influence of the electron gas which is present in the astrophysical context. (author)