Science.gov

Sample records for isobaric vapor-liquid equilibrium

  1. Isobaric vapor-liquid equilibrium for ethanol + water + potassium nitrate

    SciTech Connect

    Vercher, E.; Pena, M.P.; Martinez-Andreu, A.

    1996-01-01

    An increasing research interest in the determination of the salt effect in the vapor-liquid equilibrium of binary systems has developed over the last few decades due to the importance of distillation with salts in the separation of close boiling and azeotropic mixtures. Isobaric vapor-liquid equilibrium for ethanol (1) + water (2) + potassium nitrate (3) at various concentrations of salt and with ethanol mole fractions from 0 to 0.642 has been measured at 100.0 kPa. The results were correlated by assuming that the salt was in ionic form and it was associated only with the water.

  2. Isobaric vapor-liquid equilibrium for ethanol + water + sodium nitrate

    SciTech Connect

    Pena, M.P.; Vercher, E.; Martinez-Andreu, A.

    1996-09-01

    The salt effect on the vapor-liquid equilibrium of mixed solvents provides a potential technique of extractive distillation, in which a dissolved salt, rather than a liquid additive, is used as the separating agent. This salt distillation process has been used in the purification of close-boiling, azeotropic, and other systems which are difficult to separate. The isobaric vapor-liquid equilibrium for ethanol (1) + water (2) + sodium nitrate (3) at various concentrations of salt and with ethanol mole fractions from 0 to 0.774 has been measured at 100.0 kPa. The results were correlated by assuming that the salt was in ionic form and it was associated only with the water.

  3. Isobaric vapor-liquid equilibrium data for the ethanol-water-strontium bromide system

    SciTech Connect

    Vercher, E.; Pena, M.P.; Martinez-Andreu, A. . Dept. de Ingenieria Quimica)

    1994-04-01

    Isobaric experimental data of vapor-liquid equilibrium for the ethanol-water-strontium bromide system at different mole fractions of strontium bromide have been measured at 100.6 kPa. Data were correlated by Jaques and Furter's method. Thermodynamic consistency was checked by Herington's method with satisfactory results.

  4. Isobaric vapor-liquid equilibrium for methyldichlorosilane-dimethyldichlorosilane-benzene system*

    PubMed Central

    Qiu, Zu-min; Xie, Xin-liang; Yu, Shu-xian; Chen, Wen-you; Xie, Feng-xia; Liu, Juan

    2005-01-01

    The elucidation of vapor-liquid equilibrium (VLE) of the halogenated silane was necessary for the production of silicon derivatives, especially for methylvinyldichlorosilane, due to the lack of the relevant reports. Isobaric VLE for the system methyldichlorosilane-dimethyldichlorosilane-benzene and isobaric VLE of the three binary systems were measured with a new pump-ebulliometer at the pressure of 101.325 kPa. These binary compositions of the equilibrium vapor were calculated according to the Q function of molar excess Gibbs energy by the indirect method and the resulted VLE data agreed well with the thermodynamic consistency. Moreover, the experimental data were correlated with the Wilson, NRTL, Margules and van Laar equations by means of the least-squares fit, the acquired optimal interaction parameters were fitted to experimental vapor-liquid equilibrium data for binary systems. The binary parameters of Wilson equation were also used to calculate the bubble point temperature and the vapor phase composition for the ternary mixtures without any additional adjustment. The predicted vapor-liquid equilibrium for the ternary system was in a good agreement with the experimental results. The VLE of binary and multilateral systems provided essential theory for the production of the halogenated silane. PMID:16187419

  5. Isobaric vapor-liquid equilibrium for ethanol + water + copper(II) chloride

    SciTech Connect

    Vercher, E.; Pena, M.P.; Martinez-Andreu, A.

    1995-05-01

    The extractive distillation in which an electrolyte is employed as the extractive agent is an important alternative to the conventional methods for separating mixtures involving azeotropes. Isobaric vapor-liquid equilibrium for ethanol (1) + water(2) + copper(II) chloride (3) at different mole fractions of copper(II) chloride has been measured at 100.0 kPa. The results in the range where the mole fraction of salt in the liquid phase was less than 0.146 times the mole fraction of water were correlated by assuming that the salt was in ionic form and it was associated only with the water. Thermodynamic consistency was checked according to Herington`s method with satisfactory results.

  6. Isobaric vapor-liquid equilibrium for methyldichlorosilane-methyltrichlorosilane-dimethyldichlorosilane system*

    PubMed Central

    Qiu, Zu-min; Xie, Xin-liang; Luo, Mei; Xie, Feng-xia

    2005-01-01

    This paper describes measurement of vapor-liquid equilibrium (VLE) data of methyldichlorosilane-methyltrichloro silane-dimethyldichlorosilane system and that of the three binary systems at 101.325 kPa with a new pump-ebulliometer. The equilibrium composition of the vapor phase was calculated from pTx by indirect method. The model parameters of the liquid activity coefficient of the Wilson, NRTL, Margules and van Laar equations was corrected by the least square method. The ternary system VLE data were predicted by the Wilson equation, with the calculated boiling points showing good agreement with the experimental data. PMID:15909344

  7. A "User-Friendly" Program for Vapor-Liquid Equilibrium.

    ERIC Educational Resources Information Center

    Da Silva, Francisco A.; And Others

    1991-01-01

    Described is a computer software package suitable for teaching and research in the area of multicomponent vapor-liquid equilibrium. This program, which has a complete database, can accomplish phase-equilibrium calculations using various models and graph the results. (KR)

  8. Isobaric vapor-liquid equilibria for binary and ternary systems composed of water, 1-propanol, and 2-propanol at 100 kPa

    SciTech Connect

    Gabaldon, C.; Marzal, P.; Monton, J.B.; Rodrigo, M.A.

    1996-11-01

    Isobaric vapor-liquid equilibria data were obtained for the 2-propanol + 1-propanol binary system and the water + 1-propanol + 2-propanol ternary system at 100 kPa. The data were found to be thermodynamically consistent according to the Van Ness-Byer-Gibbs method for the binary system and according to the McDermott-Ellis method for the ternary one. The binary system is well represented by assuming ideal behavior. The binary interaction parameters obtained from this and previous work are used to predict the vapor-liquid equilibrium for the ternary system using the UNIQUAC, NRTL, and Wilson models. The ternary system is well predicted from binary data.

  9. Isobaric vapor-liquid equilibria in the binary system hexane + 2-propanol

    SciTech Connect

    Wisniak, J.; Akunis, A.

    1995-07-01

    New vapor-liquid equilibrium data have been obtained for the binary system hexane + 2-propanol at 94.4 kPa to compare with previously reported data assumed to be thermodynamically inconsistent. The system exhibits large positive deviations from ideal behavior and an azeotrope that boils at 332.92 K and contains 73.3 mol% hexane. The activity coefficients and boiling point of the solution were correlated with its composition by the Redlich-Kister, Wilson, UNIFAC, UNIQUAC, and Wisniak-Tamir models.

  10. Isobaric vapor-liquid equilibria of the water + 1-propanol system at 30, 60, and 100 kPa

    SciTech Connect

    Gabaldon, C.; Marzal, P.; Monton, J.B.; Rodrigo, M.A.

    1996-09-01

    Isobaric vapor-liquid equilibria for the water + 1-propanol system are reported at 30, 60, and 100 kPa. The results were found to be thermodynamically consistent according to Van Ness-Byer-Gibbs, Kojima, and Wisniak methods. The system shows a minimum boiling azeotrope, and the azeotropic composition is scarcely shifted with pressure. Results were compared with literature values. The data were correlated with Margules, Van Laar, Wilson, NRTL, and UNIQUAC liquid-phase activity coefficient models.

  11. Thermodynamics of alcohol-alcohol mixtures. 2. Prediction of vapor-liquid equilibrium data from heat of mixing data for alcohol-alcohol mixtures

    SciTech Connect

    Pando, C.; Christensen, J.J.; Hanks, R.W.; Renuncio, J.A.R.

    1984-06-01

    An expression for the heat of mixing (h /SUP E/ ) of binary mixtures based on the assumption of the continuous linear association of both components is fitted to experimental h /SUP E/ data of alcohol-alcohol binary mixtures to determine the adjustable parameters. By use of these parameters, either isothermal or isobaric vapor-liquid equilibrium data are predicted following the method of Hanks, Gupta, and Christensen for 21 binary systems for which VLE and h /SUP E/ data have been found in the literature. The predictions obtained agree well with the experimental vapor-liquid equilibrium values even when the temperature difference between VLE and h /SUP E/ data is large.

  12. Isobaric vapor-liquid equilibria of the water + 2-propanol system at 30, 60, and 100 kPa

    SciTech Connect

    Marzal, P.; Monton, J.B.; Rodrigo, M.A.

    1996-05-01

    Distillation is perhaps the separation process most widely used in the chemical processing industry. The correct design of distillation columns requires the availability of accurate and, if possible, thermodynamically consistent vapor-liquid equilibria (VLE) data. The present work is part of a project studying the effect of pressure on the behavior of the azeotropic point in mixtures in which at least one component is an alcohol. Isobaric vapor-liquid equilibria were obtained for the water + 2-propanol system at 30, 60, and 100 kPa. The activity coefficients were found to be thermodynamically consistent by the methods of Van Ness-Byer-Gibbs, Kojima, and Wisniak. The data were correlated with five liquid phase activity coefficient models (Margules, Van Laar, Wilson, NRTL, and UNIQUAC).

  13. Isobaric vapor-liquid equilibria of tetrachloroethylene + 1-propanol and + 2-propanol at 20 and 100 kPa

    SciTech Connect

    Dejoz, A.; Gonzalez-Alfaro, V.; Miguel, P.J.; Vazquez, M.I.

    1996-11-01

    Isobaric vapor-liquid equilibria were obtained for tetrachloroethylene + 1-propanol and +2-propanol systems at 20 and 100 kPa using a dynamic still. The experimental error in temperature was {+-} 0.1 K, in pressure {+-} 0.01 kPa and {+-} 0.1 kPa for the experiments carried out at 20 and 100 kPa, respectively, and in liquid and vapor composition 0.001. The two systems satisfy the point-to-point thermodynamic consistency test. Both systems show a positive deviation from ideality. The data were well correlated with the Wilson equation.

  14. Isobaric vapor-liquid equilibria in the systems methyl 1,1-dimethylethyl ether + hexane and + heptane

    SciTech Connect

    Wisniak, J.; Magen, E.; Shachar, M.; Zeroni, I.; Segura, H.; Reich, R.

    1997-03-01

    The vapor-liquid equilibrium at 94 kPa has been determined for the binary systems of methyl 1,1-dimethylethyl ether (MTBE) with hexane and with heptane. Both systems deviate slightly from ideal behavior, can be described as regular solutions, and do not present an azeotrope. The activity coefficients and boiling point of the solutions were correlated with its composition by the Redlich-Kister, Wohl, Wilson, UNIQUAC, NRTL, and Wisniak-Tamir equations.

  15. Vapor-liquid equilibrium thermodynamics of N2 + CH4 - Model and Titan applications

    NASA Technical Reports Server (NTRS)

    Thompson, W. R.; Zollweg, John A.; Gabis, David H.

    1992-01-01

    A thermodynamic model is presented for vapor-liquid equilibrium in the N2 + CH4 system, which is implicated in calculations of the Titan tropospheric clouds' vapor-liquid equilibrium thermodynamics. This model imposes constraints on the consistency of experimental equilibrium data, and embodies temperature effects by encompassing enthalpy data; it readily calculates the saturation criteria, condensate composition, and latent heat for a given pressure-temperature profile of the Titan atmosphere. The N2 content of condensate is about half of that computed from Raoult's law, and about 30 percent greater than that computed from Henry's law.

  16. Monte Carlo simulation of equilibrium reactions at modified vapor-liquid interfaces.

    PubMed

    Turner, C Heath

    2007-02-27

    The equilibrium conversion of a chemical reaction is known to be affected by its local environment. Various factors may alter reaction equilibria, including shifts in pressure or temperature, solvation, adsorption within porous materials, or the presence of an interface. Previously, reactive Monte Carlo simulations have been used to predict the equilibrium behavior of chemical reactions at vapor-liquid interfaces. Here, a route is tested for tuning the interfacial conversion of a Lennard-Jones dimerization reaction by adding surfactants to the vapor-liquid interface. Several temperatures are explored as well as several different surfactant models. Even with the addition of a small concentration of surfactants, the simulations predict significant shifts in the conversion at the interface. In general, the shifts in the conversion tend to be related to the values of the interfacial tension. PMID:17309206

  17. Thermodynamic Study of the Role of Interface Curvature on Multicomponent Vapor-Liquid Phase Equilibrium.

    PubMed

    Shardt, Nadia; Elliott, Janet A W

    2016-04-14

    The effect of interface curvature on phase equilibrium has been much more studied for single-component than multicomponent systems. We isolate the effect of curvature on multicomponent vapor-liquid equilibrium (VLE) phase envelopes and phase composition diagrams using the ideal system methanol/ethanol and the nonideal system ethanol/water as illustrative examples. An important finding is how nanoscale interface curvature shifts the azeotrope (equal volatility point) of nonideal systems. Understanding of the effect of curvature on VLE can be exploited in future nanoscale prediction and design. PMID:27028744

  18. Isobaric vapor-liquid equilibria of trichloroethylene with 1-butanol and 2-butanol at 20 and 100 kPa

    SciTech Connect

    Dejoz, A.; Gonzalez-Alfaro, V.; Miguel, P.J.; Vazquez, M.I.

    1996-01-01

    Knowledge of vapor-liquid equilibria is of great importance to the development of chemical processing and the design of separation equipment. Vapor-liquid equilibria for trichloroethylene + 1-butanol, and +2-butanol are reported at 20 and 100 kPa. The two systems satisfy the point-to-point thermodynamic consistency test. Both systems show a positive deviation from ideality.

  19. Condensation coefficient of methanol vapor near vapor-liquid equilibrium states

    NASA Astrophysics Data System (ADS)

    Fujikawa, S.; Yano, T.; Ichijo, M.; Iwanami, K.

    This paper is concerned with the nonequilibrium condensation from a vapor to a liquid phase on the plate endwall of a shock tube behind a reflected shock wave. The growth of a liquid film on the endwall is measured by an optical interferometer using a laser beam. The experiment is carefully conducted on the precisely designed apparatus, and thereby the condensation coefficient of methanol vapor is determined in a wide range of vapor-liquid conditions from near to far from equilibrium states. The result shows that the condensation coefficient increases with the increase of the ratio of number densities of vapor and saturated vapor at the interface.

  20. Isobaric vapor-liquid equilibria of ethylbenzene + m-xylene and ethylbenzene + o-xylene systems at 6. 66 and 26. 66 kPa

    SciTech Connect

    Monton, J.B.; Llopis, F.J. . Dept. de Ingenieria Quimica)

    1994-01-01

    Vapor-liquid equilibrium data were obtained for systems of ethylbenzene with m- and o-xylenes at 6.66 and 26.66 kPa. The activity coefficients were found to be thermodynamically consistent. They were equally well correlated with the Margules, Van Laar, Wilson, NRTL, and UNIQUAC equations. The parameters of these equations are given.

  1. A new vapor-liquid equilibrium apparatus for hydrogen fluoride containing systems

    SciTech Connect

    Jongcheon Lee; Hwayong Kim; Jong Sung Lim; Jae-Duck Kim; Youn Yong Lee

    1996-12-31

    A new circulating type apparatus has been constructed to obtain reliable equilibrium PTxy data for hydrogen fluoride (HF) containing system. Equilibrium cell with Pyrex windows protected by Teflon PFA sheets to prevent the corrosion was used. Isothermal vapor-liquid equilibrium data for the 1,1-difluoroethane (HFC-152a) + HF system at 288.23 and 298.35 K were obtained, and compared with PTx measurement results. Experimental data were correlated using Lencka and Anderko equation of state for HF with the Wong-Sandler mixing rule as well as the van der Waals one fluid mixing rule. The Wong-Sandler mixing rule gives better results. 5 refs., 3 figs.

  2. Vapor-liquid equilibrium of coal derived fluids by continuous thermodynamics

    SciTech Connect

    Srinivasan, L.

    1990-01-01

    Coal derived liquids consist of mostly aromatic compounds with definite amounts of elements like carbon, hydrogen, sulphur, nitrogen, and oxygen. A continuous thermodynamic model for vapor --liquid equilibria of these liquids has been developed. Characterization of coal fluids has been done in terms of functional groups, the composition of which may be determined from experimental elemental analysis, and spectroscopic data. The continuous thermodynamic framework has been used to represent different fractions by continuous distributions with molecular weight as the characterizing property. To perform vapor-liquid equilibrium calculations each distribution is represented by a definite number of quadrature points, and a model which incorporates Virial coefficients method for the vapor phase and the UNIFAC group contribution method for the liquid phase has been used. The main work involves a parametric study to determine if one averaged distribution can represent coal fluids with fair degree of accuracy. For this purpose, bubble point, dew point calculations are carried out for the same coal liquid represented first by a single averaged distribution and then by two and more distributions. Phase equilibrium properties have also been calculated for some available experimental data. 30 refs., 16 figs., 42 tabs.

  3. Monte Carlo simulation of equilibrium reactions at vapor-liquid interfaces.

    PubMed

    Turner, C Heath

    2005-12-15

    Chemical reactions are known to behave differently, depending upon their local environment. While the interactions with neighboring molecules may alter both the kinetics of chemical reactions and the overall equilibrium conversion, we have performed simulations of the latter. The particular environment that we address is the vapor-liquid interface, since only a few, limited studies have explored the influence of an interface on equilibrium reaction behavior. Simple dimerization reactions are modeled, as well as more complex multicomponent reactions, using the reactive Monte Carlo (RxMC) simulation technique. We find that the conversion of a reaction can be markedly different at an interface as compared to the bulk vapor and liquid phases, and these trends are analyzed with respect to specific intermolecular interactions. In conjunction, we calculate the surface tension of the reacting fluids at the interface, which is found to have unusual scaling behavior, with respect to the system temperature. PMID:16375335

  4. Isobaric vapor-liquid equilibria for binary systems composed of octane, decane, and dodecane at 20 kPa

    SciTech Connect

    Dejoz, A.; Gonzalez-Alfaro, V.; Miguel, P.J.; Vazquez, M.I.

    1996-01-01

    The most common operation in the chemical industry is the separation of liquid mixtures through distillation. Efficient design of distillation equipment requires quantitative knowledge of vapor-liquid equilibria (VLE) in binary or multicomponent mixtures. Vapor-liquid equilibria were measured for binary systems of octane + decane, decane + dodecane, and octane + dodecane at 20.00 kPa using a recirculating still. The results are thermodynamically consistent according to the point-to-point consistency test, and deviation from ideal behavior is small for all systems.

  5. Isobaric vapor-liquid equilibria of 1-butanol + N,N-dimethylformamide and 1-pentanol + N,N-dimethylformamide systems at 50.00 and 100.00 kPa

    SciTech Connect

    Marzal, P.; Gabaldon, C.; Seco, A.; Monton, J.B.

    1995-05-01

    The experimental determinations of vapor-liquid equilibria (VLE) are indispensable for the design of separation processes such as distillation columns, extractive distillation, and selection of solvents. Isobaric vapor-liquid equilibria were obtained for the 1-butanol + N,N-dimethylformamide and 1-pentanol + N,N-dimethylformamide systems at 50.00 and 100.00 kPa. The activity coefficients were found to be thermodynamically consistent. The data were correlated with five liquid phase activity coefficient models (Margules, Van Laar, Wilson, NRTL, and UNIQUAC). Experimental vapor pressures of N,N-dimethylformamide are also included.

  6. Experimental Determination of Densities and Isobaric Vapor-Liquid Equilibria of Methyl Acetate and Ethyl Acetate with Alcohols (C3 and C4) at 0.3 MPa

    NASA Astrophysics Data System (ADS)

    Susial, Pedro; Estupiñan, Esteban J.; Castillo, Victor D.; Rodríguez-Henríquez, José J.; Apolinario, José C.

    2013-10-01

    The densities and excess volumes were determined at 298.15 K for the methyl acetate + 1-propanol, methyl acetate + 1-butanol, and ethyl acetate + 1-butanol mixtures. The vapor-liquid equilibria data at 0.3 MPa for these binary systems were obtained using a stainless steel equilibrium still. The activity coefficients were obtained from the experimental data using the Hayden and O’Connell method and the Yen and Woods equation. The binary systems in this study showed positive deviations from ideality. The experimental VLE data were verified with the point-to-point test of van Ness using the Barker routine and the Fredenslund criterion. The different versions of the UNIFAC and the ASOG group contribution models were applied.

  7. ARTICLES: Vapor-Liquid Equilibrium Data of Carbon Dioxide+Methyl Propionate and Carbon Dioxide+Propyl Propionate Systems

    NASA Astrophysics Data System (ADS)

    Xu, Wei; Xie, Chuan-xin; Li, Hong-ling; Tian, Yi-ling

    2010-06-01

    High-pressure vapor-liquid equilibrium data for the binary systems of methyl propionate+carbon dioxide and propyl propionate+carbon dioxide were measured at pressure from 1.00 MPa to 12.00 MPa and temperature in the range from 313 K to 373 K. Experimental results were correlated with the Peng-Robinson equation of state with the two-parameter van der Waals mixing rule. At the same time, the Henry's coefficient, partial molar enthalpy change and partial molar entropy change of CO2 during dissolution at different temperature were also calculated.

  8. Solvent-refined coal (SRC) process. Vapor-liquid equilibrium measurements for the SRC-II process

    SciTech Connect

    Henry, R. M.

    1980-10-01

    This report summarizes vapor-liquid equilibrium studies conducted to support the Solvent Refined Coal project by the Pittsburg and Midway Coal Mining Company under contract with the Department of Energy. Discussed herein are experimental details and results of measurements to obtain vapor-liquid equilibrium data at conditions simulating those which occur during the gas-liquid separation steps in the SRC-II coal liquefaction process. Separation and compositional analyses of liquid and gas phases permitted calculation of the equilibrium K values for the various components of the mixture. Experimental methods and apparatus used in this work were compared to a system recently described in the literature. The measured K values agreed to within an average of +- 5% of published values and showed that the experimental system developed is satisfactory. Internal consistency of each experiment was evaluated by a material balance consistency test, and an average material balance of 99.7% was obtained over the 15 experiments. Data obtained from this work will serve as the basis for K value correlations used in process design calculations for the SRC-II Demonstration Plant.

  9. New phase equilibrium analyzer for determination of the vapor-liquid equilibrium of carbon dioxide and permanent gas mixtures for carbon capture and storage

    NASA Astrophysics Data System (ADS)

    Ke, Jie; Parrott, Andrew J.; Sanchez-Vicente, Yolanda; Fields, Peter; Wilson, Richard; Drage, Trevor C.; Poliakoff, Martyn; George, Michael W.

    2014-08-01

    A high-pressure, phase equilibrium analyzer incorporating a fiber-optic reflectometer is described. The analyzer has been designed for measuring the vapor-liquid equilibrium data of multi-component mixtures of carbon dioxide and permanent gases, providing a novel tool to acquire of a large number of phase equilibrium data for the development of the new carbon capture and storage technologies. We demonstrate that the analyzer is suitable for determining both the bubble- and dew-point lines at temperature from 253 K and pressure up to 25 MPa using pure CO2 and two binary mixtures of CO2 + N2 and CO2 + H2.

  10. Vapor-liquid equilibrium and volumetric properties calculations for solutions in the supercritical carbon dioxide

    NASA Astrophysics Data System (ADS)

    Rauzy, E.; Peneloux, A.

    1986-05-01

    The calculations of gas solubilities in supercritical solvents require equations of state remaining accurate in the critical range, which are difficult to obtain with classical models. In this work, the Helmholtz energy of a mixture is considered as the sum of the Helmholtz energies of pure components taken at a constant packing fraction and of a residual term which may have the form of a RedlichKister, Van Laar, NRTL, UNIQUAC, or UNIFAC function. Thus it is possible to assign to a given component an equation of state whose form is different from that of the others. This model has been applied to binary systems containing supercritical carbon dioxide. The results are improved with respect to those obtained with the classical model for vapor-liquid equilibria and for volumetric properties.

  11. Isobaric vapor-liquid equilibria of p-xylene + o-xylene and m-xylene + o-xylene systems at 6. 66 and 26. 66 kPa

    SciTech Connect

    Llopis, F.J.; Monton, J.B. . Dept. de Ingenieria Quimica)

    1994-01-01

    Vapor-liquid equilibrium data were obtained for systems of o-xylene with p- and m-xylenes at 6.66 and 26.66 kPa. The activity coefficients were found to be thermodynamically consistent. They were equally well correlated with the Margules, Van Laar, Wilson, NRTL, and UNIQUAC equations. The parameters of these equations are given.

  12. Vapor-liquid equilibria in binary systems containing ethanol with hexamethyldisiloxane and dimethyl sulfoxide

    SciTech Connect

    Kaczmarek, B.; Radecki, A. )

    1989-04-01

    Results of the experimental determination of isobaric vapor-liquid equilibrium data for the binary systems hexamethylidisiloxane (HMDS) with ethanol and ethanol with dimethyl sulfoxide (DMSO) are reported. This work is a continuation of studies on phase equilibria in binary systems.

  13. On the vapor-liquid equilibrium of attractive chain fluids with variable degree of molecular flexibility

    NASA Astrophysics Data System (ADS)

    van Westen, Thijs; Vlugt, Thijs J. H.; Gross, Joachim

    2015-06-01

    We study the isotropic (vapor and liquid) phase behavior of attractive chain fluids. Special emphasis is placed on the role of molecular flexibility, which is studied by means of a rod-coil model. Two new equations of state (EoSs) are developed for square-well- (SW) and Lennard-Jones (LJ) chain fluids. The EoSs are developed by applying the perturbation theory of Barker and Henderson (BH) to a reference fluid of hard chain molecules. The novelty of the approach is based on (1) the use of a recently developed hard-chain reference EoS that explicitly incorporates the effects of molecular flexibility, (2) the use of recent molecular simulation data for the radial distribution function of hard-chain fluids, and (3) a newly developed effective segment size, which effectively accounts for the soft repulsion between segments of LJ chains. It is shown that the effective segment size needs to be temperature-, density-, and chain-length dependent. To obtain a simplified analytical EoS, the perturbation terms are fitted by polynomials in density (SW and LJ), chain length (SW and LJ), and temperature (only for LJ). It is shown that the equations of state result in an accurate description of molecular simulation data for vapor-liquid equilibria (VLE) and isotherms of fully flexible SW- and LJ chain fluids and their mixtures. To evaluate the performance of the equations of state in describing the effects of molecular flexibility on VLE, we present new Monte Carlo simulation results for the VLE of rigid linear- and partially flexible SW- and LJ chain fluids. For SW chains, the developed EoS is in a good agreement with simulation results. For increased rigidity of the chains, both theory and simulations predict an increase of the VL density difference and a slight increase of the VL critical temperature. For LJ chains, the EoS proves incapable of reproducing part of these trends.

  14. On the vapor-liquid equilibrium of attractive chain fluids with variable degree of molecular flexibility.

    PubMed

    van Westen, Thijs; Vlugt, Thijs J H; Gross, Joachim

    2015-06-14

    We study the isotropic (vapor and liquid) phase behavior of attractive chain fluids. Special emphasis is placed on the role of molecular flexibility, which is studied by means of a rod-coil model. Two new equations of state (EoSs) are developed for square-well- (SW) and Lennard-Jones (LJ) chain fluids. The EoSs are developed by applying the perturbation theory of Barker and Henderson (BH) to a reference fluid of hard chain molecules. The novelty of the approach is based on (1) the use of a recently developed hard-chain reference EoS that explicitly incorporates the effects of molecular flexibility, (2) the use of recent molecular simulation data for the radial distribution function of hard-chain fluids, and (3) a newly developed effective segment size, which effectively accounts for the soft repulsion between segments of LJ chains. It is shown that the effective segment size needs to be temperature-, density-, and chain-length dependent. To obtain a simplified analytical EoS, the perturbation terms are fitted by polynomials in density (SW and LJ), chain length (SW and LJ), and temperature (only for LJ). It is shown that the equations of state result in an accurate description of molecular simulation data for vapor-liquid equilibria (VLE) and isotherms of fully flexible SW- and LJ chain fluids and their mixtures. To evaluate the performance of the equations of state in describing the effects of molecular flexibility on VLE, we present new Monte Carlo simulation results for the VLE of rigid linear- and partially flexible SW- and LJ chain fluids. For SW chains, the developed EoS is in a good agreement with simulation results. For increased rigidity of the chains, both theory and simulations predict an increase of the VL density difference and a slight increase of the VL critical temperature. For LJ chains, the EoS proves incapable of reproducing part of these trends. PMID:26071717

  15. A Graphical Simulation of Vapor-Liquid Equilibrium for Use as an Undergraduate Laboratory Experiment and to Demonstrate the Concept of Mathematical Modeling.

    ERIC Educational Resources Information Center

    Whitman, David L.; Terry, Ronald E.

    1985-01-01

    Demonstrating petroleum engineering concepts in undergraduate laboratories often requires expensive and time-consuming experiments. To eliminate these problems, a graphical simulation technique was developed for junior-level laboratories which illustrate vapor-liquid equilibrium and the use of mathematical modeling. A description of this…

  16. Vapor-liquid equilibrium data for the methane-dimethyl ether and methane-diethyl ether systems between 282 and 344 K

    SciTech Connect

    Garcia-Sanchez, F.; Laugier, S.; Richon, D.

    1987-04-01

    A static method described in a previous paper has been used to obtain vapor-liquid equilibrium data for the methane-dimethyl ether and methane-diethyl ether systems at three temperatures. Experimental data are fitted with the Soave, Peng and Robinson, and Mathias cubic equations of state. Adjusting two parameters instead of one allows a slight improvement of the data representation.

  17. Vapor-liquid equilibrium, coexistence curve, and critical locus for pentafluoroethane + 1,1,1,2-tetrafluoroethane (R125/R134a)

    SciTech Connect

    Higashi, Yukihiro

    1999-03-01

    The vapor-liquid equilibrium for pentafluoroethane (R125) + 1,1,1,2-tetrafluoroethane (R134a) was measured along four isotherms between 283 K and 313 K. The vapor-liquid coexistence curve at constant composition near the mixture critical point was measured by the observation of the meniscus disappearance. The critical temperatures and critical densities of the 0.2670 and 0.6648 mole fraction of R125 were determined from the saturation densities along the coexistence curve in the critical region. In addition, the critical locus for the R125/R134a mixture is correlated as a function of composition.

  18. Vapor-liquid equilibrium data for methanol, ethanol, methyl acetate, ethyl acetate, and o-xylene at 101.3 kPa

    SciTech Connect

    Costa-Lopez, J.; Garvin, A.; Espana, F.J.

    1995-09-01

    Vapor-liquid equilibrium was measured for the binary systems methanol + o-xylene, ethanol + o-xylene, methyl acetate + o-xylene and ethyl acetate + o-xylene, and for the multicomponent mixtures methanol + methyl acetate + o-xylene, ethanol + ethyl acetate + o-xylene, and methanol + ethanol + methyl acetate + ethyl acetate + o-xylene at 101.3 kPa. The Wilson and Van Laar models were compared with the UNIFAC method. Results show that the correlation was satisfactory.

  19. Determination of vapor-liquid equilibrium data and decontamination factors needed for the development of evaporator technology for use in volume reduction of radioactive waste streams

    SciTech Connect

    Betts, S.E.

    1993-10-01

    A program is currently in progress at Argonne National Laboratory to evaluate and develop evaporator technology for concentrating radioactive waste streams. By concentrating radioactive waste streams, disposal costs can be significantly reduced. To effectively reduce the volume of waste, the evaporator must achieve high decontamination factors so that the distillate is sufficiently free of radioactive material. One technology that shows a great deal of potential for this application is being developed by LICON, Inc. In this program, Argonne plans to apply LICON`s evaporator designs to the processing of radioactive solutions. Concepts that need to be incorporated into the design of the evaporator include, criticality safety, remote operation and maintenance, and materials of construction. To design an effective process for concentrating waste streams, both solubility and vapor-liquid equilibrium data are needed. The key issue, however, is the high decontamination factors that have been demonstrated by this equipment. Two major contributions were made to this project. First, a literature survey was completed to obtain available solubility and vapor-liquid equilibrium data. Some vapor-liquid data necessary for the project but not available in the literature was obtained experimentally. Second, the decontamination factor for the evaporator was determined using neutron activation analysis (NAA).

  20. Determination of vapor-liquid equilibrium data in microfluidic segmented flows at elevated pressures using Raman spectroscopy.

    PubMed

    Luther, Sebastian K; Stehle, Simon; Weihs, Kristian; Will, Stefan; Braeuer, Andreas

    2015-08-18

    A fast, noninvasive, and efficient analytical measurement strategy for the characterization of vapor-liquid equilibria (VLE) is presented, which is based on phase (state of matter) selective Raman spectroscopy in multiphase flows inside microcapillay systems (MCS). Isothermal VLE data were measured in binary and ternary mixtures composed of acetone, water, carbon dioxide or nitrogen at elevated pressures up to 10 MPa and temperatures up to 333 K. For validation, the obtained data were compared with literature data and reference measurements in a high-pressure variable volume cell. Additionally, the mixtures were investigated at temperatures and pressures where no data is available in literature to extend the high-pressure VLE database. PMID:26171990

  1. Vapor-Liquid Equilibrium in the Mixture 1,1,1,2-Tetrafluoroethane C2H2F4 + C4H10O2 2,5-Dioxahexane (EVLM1111, LB5748_E)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'vapor-Liquid Equilibrium in the Mixture 1,1,1,2-Tetrafluoroethane C2H2F4 + C4H10O2 2,5-Dioxahexane (EVLM1111, LB5748_E)' providing data from direct measurement of pressure at variable mole fraction in liquid phase and constant temperature.

  2. Vapor-Liquid Equilibrium in the Mixture Pentafluoroethane C2HF5 + C2H2F4 1,1,1,2-Tetrafluoroethane (EVLM1311, LB5632_E)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Vapor-Liquid Equilibrium in the Mixture Pentafluoroethane C2HF5 + C2H2F4 1,1,1,2-Tetrafluoroethane (EVLM1311, LB5632_E)' providing data from direct measurement of pressure at variable temperature and constant mole fraction in liquid phase.

  3. Vapor-liquid equilibrium of the Mg(NO/sub 3/)/sub 2/-HNO/sub 3/-H/sub 2/O system

    SciTech Connect

    Thompson, B.E.; Derby, J.J.; Stalzer, E.H.

    1983-06-01

    The vapor-liquid equilibrium of the Mg(NO/sub 3/)/sub 2/-HNO/sub 3/-H/sub 2/O system in concentrations of 0 to 70 wt % Mg(NO/sub 3/)/sub 2/ and 0 to 75 wt % HNO/sub 3/ at atmospheric pressure was correlated by two approaches. One was based on a dissociation equilibrium expression in which the activities of the reacting species (HNO/sub 3/, NO/sub 3//sup -/, and H/sup +/) were approximated with mole fractions. The activity coefficients of the undissociated HNO/sub 3/ and H/sub 2/O were correlated as functions of the concentrations of magnesium nitrate and nitric acid by second-order polynomials. The average absolute difference between predicted and experimental values was 8% for the mole fraction of acid in the vapor and 8/sup 0/K for the bubble-point temperature. The second approach was to correlate the mean ionic rational activity coefficient of water with a form of the excess Gibbs energy composed of two terms. One term, a function of the ionic strength, accounts for the coulombic (ionic) interactions; the other term accounts for the non-coulombic (molecular) interactions. The average absolute difference between predicted and experimental values was 9% for the mole fraction of acid in the vapor, and 10/sup 0/K for the bubble-point temperature.

  4. Applications of the Simple Multi-Fluid Model to Correlations of the Vapor-Liquid Equilibrium of Refrigerant Mixtures Containing Carbon Dioxide

    NASA Astrophysics Data System (ADS)

    Akasaka, Ryo

    This study presents a simple multi-fluid model for Helmholtz energy equations of state. The model contains only three parameters, whereas rigorous multi-fluid models developed for several industrially important mixtures usually have more than 10 parameters and coefficients. Therefore, the model can be applied to mixtures where experimental data is limited. Vapor-liquid equilibrium (VLE) of the following seven mixtures have been successfully correlated with the model: CO2 + difluoromethane (R-32), CO2 + trifluoromethane (R-23), CO2 + fluoromethane (R-41), CO2 + 1,1,1,2- tetrafluoroethane (R-134a), CO2 + pentafluoroethane (R-125), CO2 + 1,1-difluoroethane (R-152a), and CO2 + dimethyl ether (DME). The best currently available equations of state for the pure refrigerants were used for the correlations. For all mixtures, average deviations in calculated bubble-point pressures from experimental values are within 2%. The simple multi-fluid model will be helpful for design and simulations of heat pumps and refrigeration systems using the mixtures as working fluid.

  5. Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid-Vapor Equilibrium.

    PubMed

    Małolepsza, Edyta; Secor, Maxim; Keyes, Tom

    2015-10-22

    A prescription for sampling isobaric generalized ensembles with molecular dynamics is presented and applied to the generalized replica exchange method (gREM), which was designed to simulate first-order phase transitions. The properties of the isobaric gREM ensemble are discussed, and a study is presented for the liquid-vapor equilibrium of the guest molecules given for gas hydrate formation with the mW water model. Phase diagrams, critical parameters, and a law of corresponding states are obtained. PMID:26398582

  6. Isobaric molecular dynamics version of the generalized replica exchange method (gREM): Liquid–vapor equilibrium

    DOE PAGESBeta

    Malolepsza, Edyta; Secor, Maxim; Keyes, Tom

    2015-09-23

    A prescription for sampling isobaric generalized ensembles with molecular dynamics is presented and applied to the generalized replica exchange method (gREM), which was designed for simulating first-order phase transitions. The properties of the isobaric gREM ensemble are discussed and a study is presented of the liquid-vapor equilibrium of the guest molecules given for gas hydrate formation with the mW water model. As a result, phase diagrams, critical parameters, and a law of corresponding states are obtained.

  7. Vapor-liquid equilibria of coal-derived liquids; 3: Binary systems with tetralin at 200 mmHg

    SciTech Connect

    Blanco, B.; Beltran, S.; Cabezas, J.L. . Dept. of Chemical Engineering); Coca, J. . Dept. of Chemical Engineering)

    1994-01-01

    Isobaric vapor-liquid equilibrium data are reported for binary systems of tetralin with p-xylene, [gamma]-picoline, piperidine, and pyridine; all systems were measured at 26.66 kPa (200 mmHg) with a recirculation still. Liquid-phase activity coefficients were correlated using the Van Laar, Wilson, NRTL, and UNIQUAC equations. Vapor-phase nonidealities were found negligible under the experimental conditions of this work, and deviations of the liquid phase from the ideal behavior, as described by Raoult's law, were found to be slightly positive for all the systems.

  8. Determination of equilibrium pitch of cholesteric phases by isobaric-isothermal Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Memmer, R.

    2001-05-01

    In canonical Monte Carlo simulations of chiral liquid crystals, generally cholesteric phases with nonequilibrium pitch were formed under periodic boundary conditions. In order to overcome system-size effects the phase diagram of chiral calamitic liquid crystals, described here by the chiral Gay-Berne fluid, was now studied by simulations in the isothermal-isobaric ensemble (NpT). In the temperature-chirality parameter plane a rich polymorphism could be proven. In the cholesteric phase the ability of the simulation box to change the dimensions during the simulations enabled the determination of the equilibrium pitch in dependence on the chirality parameter describing the strength of the chiral interaction. Additionally, in dependence on temperature first-order phase transitions characterized by phase transition enthalpy, entropy and relative volume change have been observed. On heating a cholesteric phase (N*), for the first time by computer simulation of a many-particle system based on model intermolecular interactions a temperature-driven phase transition to a blue phase could be proven, a characteristic feature of many experimental and theoretical phase diagrams of chiral liquid crystals. Additionally, on cooling a cholesteric system a phase with a helical superstructure and smectic layers formed perpendicular to the helical axis, both characteristics of a twist grain boundary (TGB) phase, has been observed. This clear evidence shows that a chiral interaction proportional to the first pseudoscalar term of the expansion in rotational invariants is able to yield the observed phase sequence TGB-like phase, cholesteric phase, blue phase, and isotropic phase in dependence on one scalar parameter given here by the temperature, only.

  9. Densities and vapor-liquid equilibria in binary mixtures formed by propyl methanoate + ethanol, + propan-1-ol, and + butan-1-ol at 160.0 kPa

    SciTech Connect

    Falcon, J.; Ortega, J.; Gonzalez, E.

    1996-07-01

    Densities and excess volumes were determined at 298.15 K for propyl methanoate + ethanol, + propan-1-ol, and + butan-1-ol. The results of those quantities were then correlated to get the concentrations of vapor-liquid equilibrium obtained isobarically at 160 kPa for the same mixtures. Two mixtures show azeotropes: for propyl methanoate (1) + ethanol (2), x{sub 1} = 0.443 at T = 358.7 K; and for propyl methanoate (1) + propan-1-ol (2), x{sub 1} = 0.762 at T = 368.2 K. The mixtures are thermodynamically consistent, and the predictions made using several group-contribution models are satisfactory.

  10. Vapor-liquid equilibrium for mixtures of hexane and squalane at temperatures from 469.8 K to 623.3 K

    SciTech Connect

    Joyce, P.C.; Thies, M.C.

    1997-03-01

    Vapor and liquid equilibrium compositions have been measured for the hexane + squalane (2,6,10,15,19,23-hexamethyltetracosane) system at (469.8, 524.3, 574.6, and 623.3) K and at pressures ranging from (5.5 to 54.8) bar. A continuous-flow apparatus was used to minimize squalane degradation and to measure the lower squalane concentrations in the vapor phase. Mixture critical pressures and compositions were also obtained.

  11. Calculation of vapor-liquid equilibrium and PVTx properties of geological fluid system with SAFT-LJ EOS including multi-polar contribution. Part III. Extension to water-light hydrocarbons systems

    NASA Astrophysics Data System (ADS)

    Sun, Rui; Lai, Shaocong; Dubessy, Jean

    2014-01-01

    The SAFT-LJ EOS improved by Sun and Dubessy (2010, 2012) is extended to water-light hydrocarbon systems. Light hydrocarbons (including CH4, C2H6, C3H8 and nC4H10) are modeled as chain molecules without multi-polar moments. The contributions of the shape of molecules and main intermolecular interactions existing in water-light hydrocarbon systems (including repulsive and attractive forces between Lennard-Jones segments, the hydrogen-bonding force and the multi-polar interaction between water molecules) to the residual Helmholtz energy were accounted for by this EOS. The adjustable parameters for the interactions of H2O-CH4, H2O-C2H6, H2O-C3H8, and H2O-nC4H10 pairs were evaluated from mutual solubility data of binary water-hydrocarbon systems at vapor-liquid equilibria. Comparison with the experimental data shows this SAFT-LJ EOS can represent well vapor-liquid (and liquid-liquid) equilibria of binary water-light hydrocarbon systems over a wide P-T range. The accuracy of this EOS for mutual solubilities of methane, ethane, propane and water is within the experimental uncertainty generally. Moreover, the model is able to accurately predict the vapor-liquid equilibria and PVTx properties of multi-component systems composed of water, light hydrocarbon as well as CO2. As we know, this EOS is the first one allowing quantitative calculation of the mutual solubilities of water and light hydrocarbons over a wide P-T range among SAFT-type EOSs. This work indicates that the molecular-based EOS combined with conventional mixing rule can well describe the thermodynamic behavior of highly non-ideal systems such as water-light hydrocarbons mixtures except in the critical region for which long range density fluctuations cannot be taken into account by this analytical model.

  12. Vapor-Liquid Equilibria Using the Gibbs Energy and the Common Tangent Plane Criterion

    ERIC Educational Resources Information Center

    Olaya, Maria del Mar; Reyes-Labarta, Juan A.; Serrano, Maria Dolores; Marcilla, Antonio

    2010-01-01

    Phase thermodynamics is often perceived as a difficult subject with which many students never become fully comfortable. The Gibbsian geometrical framework can help students to gain a better understanding of phase equilibria. An exercise to interpret the vapor-liquid equilibrium of a binary azeotropic mixture, using the equilibrium condition based

  13. Vapor-Liquid Equilibria Using the Gibbs Energy and the Common Tangent Plane Criterion

    ERIC Educational Resources Information Center

    Olaya, Maria del Mar; Reyes-Labarta, Juan A.; Serrano, Maria Dolores; Marcilla, Antonio

    2010-01-01

    Phase thermodynamics is often perceived as a difficult subject with which many students never become fully comfortable. The Gibbsian geometrical framework can help students to gain a better understanding of phase equilibria. An exercise to interpret the vapor-liquid equilibrium of a binary azeotropic mixture, using the equilibrium condition based…

  14. Simplified thermodynamic functions for vapor-liquid phase separation and fountain effect pumps

    NASA Technical Reports Server (NTRS)

    Yuan, S. W. K.; Hepler, W. A.; Frederking, T. H. K.

    1984-01-01

    He-4 fluid handling devices near 2 K require novel components for non-Newtonian fluid transport in He II. Related sizing of devices has to be based on appropriate thermophysical property functions. The present paper presents simplified equilibrium state functions for porous media components which serve as vapor-liquid phase separators and fountain effect pumps.

  15. Simplified thermodynamic functions for vapor-liquid phase separation and fountain effect pumps

    NASA Astrophysics Data System (ADS)

    Yuan, S. W. K.; Hepler, W. A.; Frederking, T. H. K.

    He-4 fluid handling devices near 2 K require novel components for non-Newtonian fluid transport in He II. Related sizing of devices has to be based on appropriate thermophysical property functions. The present paper presents simplified equilibrium state functions for porous media components which serve as vapor-liquid phase separators and fountain effect pumps.

  16. Isothermal vapor-liquid equilibria for 2-methyl-2-butanol + 2-methyl-1-butanol + 1-pentanol

    SciTech Connect

    Aucejo, A.; Burguet, M.C.; Monton, J.B.; Munoz, R.; Sanchotello, M.; Vazquez, M.I. . Dept. de Ingenieria Quimica)

    1994-07-01

    Vapor-liquid equilibria (VLE) for 2-methyl-2-butanol + 2-methyl-1-butanol and 2-methyl-2-butanol + 2-methyl-1-butanol + 1-pentanol have been measured at 373.15 K. The binary VLE results have been correlated by different liquid-phase activity coefficient models. The binary interaction parameters obtained from Wilson, NRTL, and UNIQUAC models in this and a previously study are used to predict the VLE data for the ternary system. Vapor-liquid equilibrium (VLE) data are necessary for the design of distillation processes.

  17. [Vapor-liquid equilibria for multicomponent organic solvents].

    PubMed

    Ishidao, Toru; Ishimatsu, Sumiyo; Hori, Hajime

    2004-09-01

    Most organic solvents used in the workplace are mixed solvents consisting of several components. It is therefore very important to know the equilibrated vapor concentrations in order to control the work environment. In this study, the vapor-liquid equilibrium for multicomponent organic solvents is estimated by introducing the activity coefficients, which are calculated with the UNIFAC (Universal Quasichemical Functional Group Activity Coefficient) model. For two-component solvents, that is, the toluene-methanol and o-xylene-methanol systems, the calculated values of the vapor fraction and the equilibrated vapor concentrations are in good agreement with the reference ones. For three- or four-component solvents that are used as thinners, the calculated values are also generally in good agreement with the reference ones. PMID:15471281

  18. Vapor-Liquid Equilibria for Some Concentrated Aqueous PolymerSolutions

    SciTech Connect

    Striolo, Alberto; Prausnitz, John M.

    1999-07-01

    Vapor-liquid-equilibrium data were obtained for binary aqueous solutions of six water-soluble linear polymers in the range 70-95 C. A classical gravimetric sorption method was used to measure the amount of solvent absorbed as a function of vapor-phase water pressure. Polymers studied were polyvinylpyrrolidone, polyethyleneoxide, polyvinylalcohol, hydroxyethylcellulose, polyethylenimine, polymethylvinylether. The experimental data were reduced with Hino's lattice model that distinguished the interactions due to London dispersion forces and those due to hydrogen bonding.

  19. Influence of bond flexibility on the vapor-liquid phase equilibria of water.

    PubMed

    Raabe, Gabriele; Sadus, Richard J

    2007-01-28

    The authors performed Gibbs ensemble simulations on the vapor-liquid equilibrium of water to investigate the influence of incorporating intramolecular degrees of freedom in the simple point charge (SPC) water model. Results for vapor pressures, saturation densities, heats of vaporization, and the critical point for two different flexible models are compared with data for the corresponding rigid SPC and SPC/E models. They found that the introduction of internal vibrations, and also their parametrization, has an observable effect on the prediction of the vapor-liquid coexistence curve. The flexible SPC/Fw model, although optimized to describe bulk diffusion and dielectric constants at ambient conditions, gives the best prediction of saturation densities and the critical point of the examined models. PMID:17286493

  20. The calculation of vapor-liquid coexistence curve of Morse fluid: application to iron.

    PubMed

    Apfelbaum, E M

    2011-05-21

    The vapor-liquid coexistence curve of Morse fluid was calculated within the integral equations approach. The critical point coordinates were estimated. The parameters of Morse potential, fitted for elastic constants in solid phase, were used here to apply the results of present calculations to the determination of iron binodal. The properties of copper and sodium were considered in an analogous way. The calculations of pair correlation functions and isobars at liquid phase have shown that only for sodium these potential parameters allow one to obtain agreement with the measurements data. For iron another parameters are necessary to get this agreement in liquid phase. However, they give rise to very low critical temperature and pressure with respect to the estimates of other authors. Consequently, one can suppose that Morse potential is possibly inapplicable to the calculation of high temperature properties of non-alkali metals in disordered phases. PMID:21599072

  1. Vapor-liquid equilibria for solutions of dendritic polymers

    SciTech Connect

    Mio, C.; Kiritsov, S.; Thio, Y.; Brafman, R.; Prausnitz, J.; Hawker, C.; Malmstroem, E.E.

    1998-07-01

    Vapor-liquid equilibrium data were obtained for dendritic polymer solutions using a classic isothermal gravimetric-sorption method; the amount of solvent absorbed by the dendrimer was measured at increasing solvent activity. The polymers were polyamidoamine (PAMAM) dendrimers of generations 1, 2, and 4 and benzyl ether dendrimers with different end groups (aromatic rings, dodecyl chains, methyl ester groups, perfluoroalkyl chains) of generations 2 to 6, and two series of benzyl ether linear polymers that are analogues of the dendrimers. Solvents were acetone, acetonitrile, chloroform, cyclohexane, methanol, n-pentane, n-propylamine, tetrahydrofuran, and toluene. The temperature range was 35 to 89 C. The amount of solvent absorbed by the dendrimers depends, sometimes strongly, on the kind of dendrimer end groups. The relation between solvent absorption and dendrimer generation number, or molecular weight, depends on the solvent-dendrimer system and on temperature. Solvent absorption in linear polymers is below that for corresponding dendrimers, all or in part owing to crystallinity in the linear polymers.

  2. A theory of a curved vapor-liquid separation boundary: The lattice gas model

    NASA Astrophysics Data System (ADS)

    Tovbin, Yu. K.

    2010-02-01

    Molecular theory of curved vapor-liquid interphase boundaries was considered in terms of the lattice gas model. The theory uses the quasi-thermodynamic concept of curved layers of a separation boundary with a large radius. The transition from a rectangular lattice to such layers is performed by the introduction of a variable number of the nearest neighbors. The problems (1) of the transition from distributed molecular models to layer models reflecting macroscopic symmetry of the interphase boundary and (2) of a minimum linear size of the surface region to which thermodynamic approaches are applicable were considered. Equations for the quasi-equilibrium distribution of molecules at the vapor-liquid boundary in a metastable system were constructed in the quasi-chemical approximation taking into account direct correlations between the nearest interacting molecules. A metastable state is maintained by a pressure jump described by the macro-scopic Laplace equation on a separation surface inside the interphase region. Equations for local mean pressure values and normal and tangential pressure tensor components inside the interphase region were constructed. These equations were used to obtain microscopic difference mechanical equilibrium equations for curved boundaries of spherical and cylindrical drops in the metastable state. The relation between the micro-scopic difference mechanical equilibrium equations and similar differential equations and the macroscopic Laplace equation, which described pressure jump in a metastable system, was considered. Various definitions of surface tension are discussed.

  3. Vapor-liquid equilibria for alcohol + alcohol + sodium iodide at 298.15 K

    SciTech Connect

    Yamamoto, H.; Fukase, K.; Shibata, J.

    1996-09-01

    Estimation and correlation of phase equilibria data in chemical engineering are indispensable for the design of equilibrium separation processes. If a salt, being completely nonvolatile, is added to the solvent mixture, the relative volatility generally changes; this is known as the salting-in or -out effect on vapor-liquid equilibria. Vapor-liquid equilibria for methanol + propan-1-ol + NaI, methanol + propan-2-ol + NaI, ethanol + propan-1-ol + NaI, and ethanol + propan-2-ol + NaI systems were measured at 298.15 K using a static method. The apparatus was tested by comparing results for ethanol + water and ethanol + water + CaCl{sub 2} with literature results. Results were tested for thermodynamic consistency by Herinton`s area test and point test. NaI exerted a salting-in effect on all binary alcohol solutions and the order of the salt effect of NaI was methanol + ethanol < ethanol + propan-1-ol < ethanol + propan-2-ol < methanol + propan-1-ol < methanol + propan-2-ol. Hala`s model was applied for the correlation of four alcohol + alcohol + salt systems using observed data. Calculated {beta} values in Hala`s equation were between 2.8 and 3.9 for the four alcohol + alcohol + NaI systems.

  4. Crossover between vapor-liquid and consolute critical phenomena

    SciTech Connect

    Anisimov, M.A.; Gorodetskii, E.E.; Kulikov, V.D.; Sengers, J.V. Department of Physics, Institute for Oil and Gas Research of the Russian Academy of Sciences, Leninski Prospect 65, Moscow 117917 Department of Chemical Engineering, University of Maryland, College Park, Maryland 20742 )

    1995-02-01

    The application of the principle of critical-point universality to fluid mixtures near plait points is generalized to encompass crossover between the one-component vapor-liquid critical limit and the liquid-liquid critical limit of incompressible liquid mixtures. This goal is accomplished by generalizing the scaling fields to linear combinations of three physical field variables related to the temperature and the chemical potentials of the two components. We show how one recovers from the general expressions for the scaling fields the limiting critical behavior of dilute mixtures near the vapor-liquid critical point and of weakly compressible liquid mixtures near the consolute point. In addition we elucidate the consequences for the critical behavior in some special cases, namely, near an azeotropic critical point, near a reentrant critical point, and when the critical temperature goes through a maximum or a minimum as a function of concentration.

  5. Silicon nanowire synthesis by a vapor-liquid-solid approach

    NASA Technical Reports Server (NTRS)

    Mao, Aaron; Ng, H. T.; Nguyen, Pho; McNeil, Melanie; Meyyappan, M.

    2005-01-01

    Synthesis of silicon nanowires is studied by using a vapor-liquid-solid growth technique. Silicon tetrachloride reduction with hydrogen in the gas phase is used with gold serving as catalyst to facilitate growth. Only a narrow set of conditions of SiCl4 concentration and temperature yield straight nanowires. High concentrations and temperatures generally result in particulates, catalyst coverage and deactivation, and coatinglike materials.

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

    SciTech Connect

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

    2004-10-20

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

  7. A study of vapor-liquid flow in porous media

    SciTech Connect

    Satik, Cengiz; Yortsos, Yanis C.

    1994-01-20

    We study the heat transfer-driven liquid-to-vapor phase change in single-component systems in porous media by using pore network models and flow visualization experiments. Experiments using glass micromodels were conducted. The flow visualization allowed us to define the rules for the numerical pore network model. A numerical pore network model is developed for vapor-liquid displacement where fluid flow, heat transfer and capillarity are included at the pore level. We examine the growth process at two different boundary conditions.

  8. Nanopillar growth mode by vapor-liquid-solid epitaxy

    NASA Astrophysics Data System (ADS)

    Taraci, J. L.; Dailey, J. W.; Clement, T.; Smith, David J.; Drucker, Jeff; Picraux, S. T.

    2004-06-01

    We report epitaxial growth of Ge nanopillars (NPs ) on Si(100) by vapor-liquid-solid (VLS) growth from digermane. This growth morphology is characterized by short, low-aspect-ratio pillars and is markedly different from the long, narrow nanowires (NWs ) previously reported for VLS growth. The NP growth mode occurs at low digermane pressures. It is attributed to surface-diffusion-induced lateral growth in combination with an insufficient Ge concentration gradient in the AuGe eutectic to catalyze NW growth. High resolution electron microscopy confirms that the NPs are epitaxial with the Si (100) substrate and are fully relaxed and strain free.

  9. Integrated vapor-liquid-solid silicon mass sensors (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    Bryce, Brian A.; Gorman, Jason J.; Keylyuk, Sergiy; Davydov, Albert

    2015-08-01

    We present the results and progress of research to create a multiplex chemical sensor based on Au catalyzed vapor-liquid-solid (VLS) silicon nanowires deployed as resonant mass sensors. Each element of this sensor has a single VLS wire grown in close proximity to a Si photodiode. Together they create a Fabry-Prot interferometer that allows for the sensitive detection of the beam's resonant motion. Small changes in mass on the cantilever that occur as a result of chemical absorption on the functionalized Au surface shift the resonant frequency. Our integrated approach will allow large reductions in system complexity for this sensor class.

  10. Vapors-liquid phase separator. [infrared telescope heat sink

    NASA Technical Reports Server (NTRS)

    Frederking, T. H. K.; Brown, G. S.; Chuang, C.; Kamioka, Y.; Kim, Y. I.; Lee, J. M.; Yuan, S. W. K.

    1980-01-01

    The use of porous plugs, mostly with in the form of passive devices with constant area were considered as vapor-liquid phase separators for helium 2 storage vessels under reduced gravity. The incorporation of components with variable cross sectional area as a method of flow rate modification was also investigated. A particular device which uses a shutter-type system for area variation was designed and constructed. This system successfully permitted flor rate changes of up to plus or minus 60% from its mean value.

  11. Vapor-liquid equilibria in the systems of toluene/aniline, aniline/naphthalene, and naphthalene/quinoline

    SciTech Connect

    Lee, C.H.; Mohamed, R.S.; Holder, G.D. )

    1992-04-01

    This paper reports on vapor-liquid equilibria for the aniline/naphthalene, toluene/aniline, and naphthalene/quinoline systems that have been determined at 0-1500 kPa and 490-623 K by using a static equilibrium cell. The data can be accurately correlated with the modified Peng-Robinson equation of state by using density-dependent mixing rules. The binary interaction parameters and correction factors for the equation of state are reported at each isotherm. The presence of coal-derived solids in these binary systems did not influence any of the binary bubble pressures.

  12. Vapor-liquid equilibria for the difluoromethane (HFC-32) + 1,1,1,2-tetrafluoroethane (HFC-134a) system

    SciTech Connect

    Chung, E.Y.; Kim, M.S.

    1997-11-01

    Isothermal vapor-liquid equilibrium data of the binary mixture of difluoromethane (HFC-32) + 1,1,1,2-tetrafluoroethane (HFC-134a) have been measured in the temperature range between 263 K and 323 K. The experiment was carried out with a circulation type apparatus with the measurement of temperature, pressure, and compositions of the liquid and vapor phases. The experimental data were correlated with the Peng-Robinson and Redlich-Kwong-Soave equations of state, and comparison with literature results has been made.

  13. Vapor-Liquid Equilibria of Imidazolium Ionic Liquids with Cyano Containing Anions with Water and Ethanol.

    PubMed

    Khan, Imran; Batista, Marta L S; Carvalho, Pedro J; Santos, Luís M N B F; Gomes, José R B; Coutinho, João A P

    2015-08-13

    Isobaric vapor-liquid equilibria of 1-butyl-3-methylimidazolium thiocyanate ([C4C1im][SCN]), 1-butyl-3-methylimidazolium dicyanamide ([C4C1im][N(CN)2]), 1-butyl-3-methylimidazolium tricyanomethanide ([C4C1im][C(CN)3]), and 1-ethyl-3-methylimidazolium tetracyanoborate ([C2C1im][B(CN)4]), with water and ethanol were measured over the whole concentration range at 0.1, 0.07, and 0.05 MPa. Activity coefficients were estimated from the boiling temperatures of the binary systems, and the data were used to evaluate the ability of COSMO-RS for describing these molecular systems. Aiming at further understanding the molecular interactions on these systems, molecular dynamics (MD) simulations were performed. On the basis of the interpretation of the radial and spatial distribution functions along with coordination numbers obtained through MD simulations, the effect of the increase of CN-groups in the IL anion in its capability to establish hydrogen bonds with water and ethanol was evaluated. The results obtained suggest that, for both water and ethanol systems, the anion [N(CN)2](-) presents the higher ability to establish favorable interactions due to its charge, and that the ability of the anions to interact with the solvent, decreases with further increasing of the number of cyano groups in the anion. The ordering of the partial charges in the nitrogen atoms from the CN-groups in the anions agrees with the ordering obtained for VLE and activity coefficient data. PMID:26168205

  14. New Exciplex Fluorescence System for Vapor-Liquid Visualization

    NASA Astrophysics Data System (ADS)

    Kim, J. U.; Darrow, Jon; Nocera, D. G.; Schock, H. J.; Golding, B.

    1997-03-01

    We report a new and viable diagnostic chemical systems for two phase vapor-liquid visualization based on exciplex (excited state complex) formed between N,N-dimethylaniline (DMA) and 1,4,6- trimethylnaphthalene (1,4,6-TMN) in isooctane.( J. U. Kim et al., ``Exciplex Fluorescence Visualization Systems for Pre-Combustion Diagnosis of an Automotive Gasoline Engine'', SAE paper 960826, 1996 ) Steady-state and time-resolved emission spectroscopies were used in order to study the exciplex kinetics. Temperature dependent measurements of the exciplex fluorescence reveal that the quenching mechanism associated with the exciplex is sufficiently favorable to permit the exciplex to exist at temperatures approaching 150^circ C. This system is designed to probe the spatial and temporal evolution of fuel mixture formation in a spark ignition engine by use of spectrally well-separated fluorescence images obtained from the monomer and exciplex constituents dissolved in gasoline fuel.

  15. Magnetotail dynamics under isobaric constraints

    NASA Technical Reports Server (NTRS)

    Birn, Joachim; Schindler, Karl; Janicke, Lutz; Hesse, Michael

    1994-01-01

    Using linear theory and nonlinear MHD simulations, we investigate the resistive and ideal MHD stability of two-dimensional plasma configurations under the isobaric constraint dP/dt = 0, which in ideal MHD is equivalent to conserving the pressure function P = P(A), where A denotes the magnetic flux. This constraint is satisfied for incompressible modes, such as Alfven waves, and for systems undergoing energy losses. The linear stability analysis leads to a Schroedinger equation, which can be investigated by standard quantum mechanics procedures. We present an application to a typical stretched magnetotail configuration. For a one-dimensional sheet equilibrium characteristic properties of tearing instability are rediscovered. However, the maximum growth rate scales with the 1/7 power of the resistivity, which implies much faster growth than for the standard tearing mode (assuming that the resistivity is small). The same basic eigen-mode is found also for weakly two-dimensional equilibria, even in the ideal MHD limit. In this case the growth rate scales with the 1/4 power of the normal magnetic field. The results of the linear stability analysis are confirmed qualitatively by nonlinear dynamic MHD simulations. These results suggest the interesting possibility that substorm onset, or the thinning in the late growth phase, is caused by the release of a thermodynamic constraint without the (immediate) necessity of releasing the ideal MHD constraint. In the nonlinear regime the resistive and ideal developments differ in that the ideal mode does not lead to neutral line formation without the further release of the ideal MHD constraint; instead a thin current sheet forms. The isobaric constraint is critically discussed. Under perhaps more realistic adiabatic conditions the ideal mode appears to be stable but could be driven by external perturbations and thus generate the thin current sheet in the late growth phase, before a nonideal instability sets in.

  16. On the isobaric thermal expansivity of liquids

    NASA Astrophysics Data System (ADS)

    Troncoso, Jacobo; Navia, Paloma; Roman, Luis; Bessieres, David; Lafitte, Thomas

    2011-03-01

    The temperature and pressure dependence of isobaric thermal expansivity, ?p, in liquids is discussed in this paper. Reported literature data allow general trends in this property that are consistent with experimental evidence to be established. Thus, a negative pressure dependence is to be expected except around the critical point. On the other hand, ?p exhibits broad regions of negative and positive temperature dependence in the (T, p) plane depending on the nature of the particular liquid. These trends are rationalized here in terms of various molecular-based equations of state. The analysis of the Lennard-Jones, hard sphere square well and restricted primitive model equations allows understanding the differences in the ?p behavior between liquids of diverse chemical nature (polar, nonpolar, and ionic): broader regions of negative temperature and positive pressure dependencies are obtained for liquids characterized by larger ranges of the interparticle potential. Also, using the statistical associating fluid theory (SAFT) allowed the behavior of more complex systems (basically, those potentially involving chain and association effects) to be described. The effect of chain length is rather simple: increasing it is apparently equivalent to raise the interaction range. By contrast, association presents a quite complex effect on ?p, which comes from a balance between the dispersive and associative parts of the interaction potential. Thus, if SAFT parameters are adjusted to obtain low association ability, ?p is affected by each mechanism at clearly separate regions, one at low temperature, due to association, and the other to dispersive forces, which has its origin in fluctuations related with vapor-liquid transition.

  17. On the isobaric thermal expansivity of liquids.

    PubMed

    Troncoso, Jacobo; Navia, Paloma; Romaní, Luis; Bessieres, David; Lafitte, Thomas

    2011-03-01

    The temperature and pressure dependence of isobaric thermal expansivity, α(p), in liquids is discussed in this paper. Reported literature data allow general trends in this property that are consistent with experimental evidence to be established. Thus, a negative pressure dependence is to be expected except around the critical point. On the other hand, α(p) exhibits broad regions of negative and positive temperature dependence in the (T, p) plane depending on the nature of the particular liquid. These trends are rationalized here in terms of various molecular-based equations of state. The analysis of the Lennard-Jones, hard sphere square well and restricted primitive model equations allows understanding the differences in the α(p) behavior between liquids of diverse chemical nature (polar, nonpolar, and ionic): broader regions of negative temperature and positive pressure dependencies are obtained for liquids characterized by larger ranges of the interparticle potential. Also, using the statistical associating fluid theory (SAFT) allowed the behavior of more complex systems (basically, those potentially involving chain and association effects) to be described. The effect of chain length is rather simple: increasing it is apparently equivalent to raise the interaction range. By contrast, association presents a quite complex effect on α(p), which comes from a balance between the dispersive and associative parts of the interaction potential. Thus, if SAFT parameters are adjusted to obtain low association ability, α(p) is affected by each mechanism at clearly separate regions, one at low temperature, due to association, and the other to dispersive forces, which has its origin in fluctuations related with vapor-liquid transition. PMID:21384980

  18. Transient-pressure analysis in geothermal steam reservoirs with an immobile vaporizing liquid phase

    USGS Publications Warehouse

    Moench, A.F.; Atkinson, P.G.

    1978-01-01

    A finite-difference model for the radial horizontal flow of steam through a porous medium is used to evaluate transient-pressure behavior in the presence of an immobile vaporizing or condensing liquid phase. Graphs of pressure drawdown and buildup in terms of dimensionless pressure and time are obtained for a well discharging steam at a constant mass flow rate for a specified time. The assumptions are made that the steam is in local thermal equilibrium with the reservoir rocks, that temperature changes are due only to phase change, and that effects of vapor-pressure lowering are negligible. Computations show that when a vaporizing liquid phase is present the pressure drawdown exhibits behavior similar to that observed in noncondensable gas reservoirs, but delayed in time. A theoretical analysis allows for the computation of this delay and demonstrates that it is independent of flow geometry. The response that occurs upon pressure buildup is markedly different from that in a noncondensable gas system. This result may provide a diagnostic tool for establishing the existence of phase-change phenomena within a reservoir. ?? 1979.

  19. Mathematical modeling of planar and spherical vapor-liquid phase interfaces for multicomponent fluids

    NASA Astrophysics Data System (ADS)

    Celný, David; Vinš, Václav; Planková, Barbora; Hrubý, Jan

    2016-03-01

    Development of methods for accurate modeling of phase interfaces is important for understanding various natural processes and for applications in technology such as power production and carbon dioxide separation and storage. In particular, prediction of the course of the non-equilibrium phase transition processes requires knowledge of the properties of the strongly curved phase interfaces of microscopic droplets. In our work, we focus on the spherical vapor-liquid phase interfaces for binary mixtures. We developed a robust computational method to determine the density and concentration profiles. The fundamentals of our approach lie in the Cahn-Hilliard gradient theory, allowing to transcribe the functional formulation into a system of ordinary Euler-Langrange equations. This system is then split and modified into a shape suitable for iterative computation. For this task, we combine the Newton-Raphson and the shooting methods providing a good convergence speed. For the thermodynamic roperties, the PC-SAFT equation of state is used. We determine the density and concentration profiles for spherical phase interfaces at various saturation factors for the binary mixture of CO2 and C9H20. The computed concentration profiles allow to the determine the work of formation and other characteristics of the microscopic droplets.

  20. High-pressure vapor-liquid equilibria in the propane-1-propanol system

    SciTech Connect

    Muehlbauer, A.L.; Raal, J.D. )

    1993-04-01

    High-pressure isothermal vapor liquid equilibrium data were measured for the propane-1-propanol system at 81.6, 105.2, and 120.1 C in a static equilibrium cell with liquid-phase sampling by a piston-driven sampling rod and homogenizing the sample with a static jet mixer. The vapor phase was sampled by releasing it into an evacuated manifold, and the gas chromatograph was calibrated with a new variable volumetric device. Satisfactory modeling was achieved with the combined method using the UNIQUAC equation with equations of sate: the group contribution EOS, Peng-Robinson EOS, or the two-parameter Virial EOS. Differences between the measured and calculated vapor-phase mole fractions, however, were significant for the lower pressure regions of the 81.6 and 120.1 C isotherms. UNIQUAC parameters, hitherto unavailable, with fairly strong temperature dependence in the 81.6 to 120.1 C range are proposed for the system. The covariance matrix indicated a significant correlation among the parameters. The classical mixing rule interaction parameters required for the original Peng-Robinson EOS in the combined method were obtained using the direct method and were temperature-independent for the isotherms for which the propane was supercritical. The possibility of propane/1-propanol immiscibility was theoretically examined according to the criteria of Baker et al. The plots of Gibbs energy of mixing vs. phase mole fractions did not indicate liquid-phase splitting, but the inferences are EOS-dependent and must await visual confirmation. The authors earlier vapor-phase thermodynamic consistency test indicated the data for all three data sets not to be inconsistent.

  1. Isobaric groundwater well

    DOEpatents

    Hubbell, Joel M.; Sisson, James B.

    1999-01-01

    A method of measuring a parameter in a well, under isobaric conditions, including such parameters as hydraulic gradient, pressure, water level, soil moisture content and/or aquifer properties the method as presented comprising providing a casing having first and second opposite ends, and a length between the ends, the casing supporting a transducer having a reference port; placing the casing lengthwise into the well, second end first, with the reference port vented above the water table in the well; and sealing the first end. A system is presented for measuring a parameter in a well, the system comprising a casing having first and second opposite ends, and a length between the ends and being configured to be placed lengthwise into a well second end first; a transducer, the transducer having a reference port, the reference port being vented in the well above the water table, the casing being screened across and above the water table; and a sealing member sealing the first end. In one embodiment, the transducer is a tensiometer transducer and in other described embodiments, another type transducer is used in addition to a tensiometer.

  2. Turbulence and heat exchange in condensing vapor-liquid flow

    NASA Astrophysics Data System (ADS)

    Lakehal, Djamel; Fulgosi, Marco; Banerjee, Sanjoy; Yadigaroglu, George

    2008-06-01

    Turbulence and heat exchange during condensation of a vapor stream countercurrently flowing to a subcooled liquid stream in a slightly inclined channel has been investigated by direct numerical simulation (DNS). Condensation rates and imposed pressure gradients have been varied, and capillary-gravity waves have been allowed to develop at the (deformable) vapor-liquid interface. These simulations extend our previous DNS of turbulence and scalar exchange in stratified gas-liquid flows without condensation. The previous studies indicated that for conditions in which the gas-liquid interface remained continuous, i.e., did not "break," scalar exchange rates on both the gas and liquid sides were largely determined by sweeps which brought high momentum fluid from the bulk flow to the interface. As sweep frequencies were found to scale with interfacial friction velocities, scalar exchange coefficients could be parametrized with a surface renewal theory. The issue addressed in the current work is how these findings are altered by condensation which acts somewhat like suction through a wall on the vapor side and injection through a wall on the liquid side. Both suction and injection have been found to affect shear stresses, turbulence characteristics, and scalar exchange rates, and hence similar effects might be expected during condensation. The present simulations indicate that the turbulence characteristics in both phases are affected, with turbulence intensities and Reynolds stresses being enhanced on the vapor side and attenuated on the liquid side. For a given imposed pressure gradient, the interfacial shear stress decreases as a result of the interfacial momentum exchange due to condensation. Interfacial waves are also found to be damped by condensation and the streamwise vortical structures on the liquid side are attenuated. The frequencies of sweeps and ejections, however, do scale with the interfacial friction velocity, reduced due to condensation, as does the liquid-side heat transfer coefficient. The simulations indicate that the scaling relationship between the interfacial friction velocity and the liquid-side heat transfer coefficient is similar to that in the absence of condensation, although the interfacial friction velocity itself is different, being dependent on condensation rates. As condensation rates depend in turn on the liquid-side heat transfer, their prediction becomes a coupled problem. A procedure for determining condensation rates as a function of imposed pressure gradient and liquid subcooling is derived from the simulations.

  3. Delta isobars in neutron stars

    NASA Astrophysics Data System (ADS)

    Pagliara, Giuseppe; Drago, Alessandro; Lavagno, Andrea; Pigato, Daniele

    2015-05-01

    The appearance of delta isobars in beta-stable matter is regulated by the behavior of the symmetry energy at densities larger than saturation density. We show that by taking into account recent constraints on the density derivative of the symmetry energy and the theoretical and experimental results on the excitations of delta isobars in nuclei, delta isobars are necessary ingredients for the equations of state used for studying neutron stars. We analyze the effect of the appearance of deltas on the structure of neutron stars: as in the case of hyperons, matter containing delta is too soft for allowing the existence of 2M⊙ neutron stars. Quark stars on the other hand, could reach very massive configurations and they could form from a process of conversion of hadronic stars in which an initial seed of strangeness appears through hyperons.

  4. EXPERIMENTAL MEASUREMENT AND MODELING OF THE VAPOR-LIQUID EQUILIBRIUM OF CARBON DIOXIDE + CHLOROFORM. (R826734)

    EPA Science Inventory

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  5. Vapor-liquid equilibria for systems of 1-butanol with 2-methyl-1-butanol, 3-methyl-1-butanol, 2-methyl-2-butanol, and 3-methyl-2-butanol at 30 and 100 kPa

    SciTech Connect

    Aucejo, A.; Burguet, M.C.; Monton, J.B.; Munoz, R.; Sanchotello, M.; Vazquez, M.I. . Dept. de Ingenieria Quimica)

    1994-04-01

    Vapor-liquid equilibrium data were measured for binary systems of 1-butanol with 2-methyl-1-butanol, 3-methyl-1-butanol, 2-methyl-2-butanol, and 3-methyl-2-butanol at 30 and 100 kPa. The experimental data obtained in this work are thermodynamically consistent according to a point-to-point consistency test, and deviation from ideal behavior is small in all cases. They can be equally well correlated with the Margules, Van Laar, Wilson, NRTL, and UNIQUAC equations.

  6. Influence of solid-state characteristics on critical parameters of vapor-liquid phase transition

    NASA Astrophysics Data System (ADS)

    Khomkin, A. L.; Shumikhin, A. S.

    2015-11-01

    New method for calculation of critical point parameters and binodal of vapor-liquid (dielectric-metal) phase transition is suggested. Method is based on the hypothesis that cohesion, which determines the main properties of solid state, determines also the properties in vicinity of critical point. Comparison with known experimental data for rare gases and mercury shows satisfactory agreement with our calculations.

  7. Naturally occurring vapor-liquid-solid (VLS) Whisker growth of germanium sulfide

    USGS Publications Warehouse

    Finkelman, R.B.; Larson, R.R.; Dwornik, E.J.

    1974-01-01

    The first naturally occurring terrestrial example of vapor-liquid-solid (VLS) growth has been observed in condensates from gases released by burning coal in culm banks. Scanning electron microscopy, X-ray diffraction, and energy dispersive analysis indicate that the crystals consist of elongated rods (??? 100 ??m) of germanium sulfide capped by bulbs depleted in germanium. ?? 1974.

  8. Vapor liquid equilibria on the ternary lithium fluoride-sodium fluoride-beryllium fluoride system

    NASA Astrophysics Data System (ADS)

    Fukuda, Grant Takeshi

    Molten mixtures of LiF, NaF, and BeF2 (FLiNaBe) have been proposed as a liquid first wall for selected fusion reactor designs. Because currently envisaged reactor technologies for igniting and/or sustaining a, fusion reaction require vacuum conditions, the volatility of these liquids is an issue for concern. Many physical properties of the ternary LiF-NaF-BeF 2 (FLiNaBe) system have already been studied as part of the molten salt reactor program, but the vapor pressure has not been measured. A study of the vapor liquid equilibrium of FLiNaBe by Thermogravimetric Analysis (TGA) and Knudsen Cell Mass Spectrometry (KCMS) is presented. The ternary system is treated as a pseudo-binary system by fixing the ratio of LiF:NaF and varying the amount of BeF2. Measurements have been performed over a composition range of 0.3--0.8 mole fraction BeF2 and from 875--975K. Experimental data, are correlated in terms of the BeF 2 activity coefficient. Measurements were also carried out on the binary systems LiF-BeF2 and NaF-BeF2. Measured values of the BeF2 activity coefficient in the binary LiF-BeF2 and NaF-BeF2 systems compare satisfactorily with previous results published in the research literature. The vapor phase of FLiNaBe was found to consist of primarily the species BeF2, LiBeF3, and NaBeF 3 over the temperature and composition range studied. Mixtures of BeF2-containing fluoride salts are highly non-ideal; the BeF2 activity coefficient exhibits both positive and negative deviations from ideality over the composition range studied. An associated solution model with 3 adjustable parameters is used to fit the BeF2 activity coefficient data of the LiF-BeF2 and NaF-BeF2 systems. The parameters obtained from fitting binary data are then used to fit the ternary system. The extension of the model to the ternary system results in a single additional parameter that can only be determined from fitting ternary data. Overall the agreement between the model and experimental data is within ˜30% and the model can be used to predict the vapor pressure over a wide composition range.

  9. Measurements of the vapor-liquid coexistence curve and the critical locus for several refrigerant mixtures

    SciTech Connect

    Higashi, Y.; Uematsu, M.; Watanabe, K.; Hanley, H.J.M.; Cezairliyan, A.

    1986-01-01

    Measurements of the vapor-liquid coexistence curve in the critical region for the systems of binary refrigerant mixture, i.e., Refrigerant 22 + Refrigerant 114 and Refrigerant 13B1 + Refrigerant 114, have been made by visual observation of the meniscus at the vapor-liquid interface within an optical cell. The experimental uncertainty of the temperature, density, and mass fraction is estimated within 15 mK, 0.5%, and 0.05%, respectively. The critical locus for these mixtures has been determined taking into consideration the disappearing meniscus level and the intensity of the critical opalescence. In accordance with the previous results of the Refrigerant 12 + Refrigerant 22 system, the coexistence curve for binary refrigerant mixtures is discussed. The composition dependence of the critical parameters for refrigerant mixtures is also discussed and compared with that of several predictive methods.

  10. Universal adsorption at the vapor-liquid interface near the consolute point

    NASA Technical Reports Server (NTRS)

    Schmidt, James W.

    1990-01-01

    The ellipticity of the vapor-liquid interface above mixtures of methylcyclohexane (C7H14) and perfluoromethylcyclohexane (C7F14) has been measured near the consolute point T(c) = 318.6 K. The data are consistent with a model of the interface that combines a short-ranged density-vs height profile in the vapor phase with a much longer-ranged composition-versus-height profile in the liquid. The value of the free parameter produced by fitting the model to the data is consistent with results from two other simple mixtures and a mixture of a polymer and solvent. This experiment combines precision ellipsometry of the vapor-liquid interface with in situ measurements of refractive indices of the liquid phases, and it precisely locates the consolute point.

  11. Metastability of Au-Ge liquid nanocatalysts: Ge vapor-liquid-solid nanowire growth far below the bulk eutectic temperature.

    PubMed

    Adhikari, Hemant; Marshall, Ann F; Goldthorpe, Irene A; Chidsey, Christopher E D; McIntyre, Paul C

    2007-12-01

    The vapor-liquid-solid mechanism of nanowire (NW) growth requires the presence of a liquid at one end of the wire; however, Au-catalyzed Ge nanowire growth by chemical vapor deposition can occur at approximately 100 degrees C below the bulk Au-Ge eutectic. In this paper, we investigate deep sub-eutectic stability of liquid Au-Ge catalysts on Ge NWs quantitatively, both theoretically and experimentally. We construct a binary Au-Ge phase diagram that is valid at the nanoscale and show that equilibrium arguments, based on capillarity, are inconsistent with stabilization of Au-Ge liquid at deep sub-eutectic temperatures, similar to those used in Ge NW growth. Hot-stage electron microscopy and X-ray diffraction are used to test the predictions of nanoscale phase equilibria. In addition to Ge supersaturation of the Au-Ge liquid droplet, which has recently been invoked as an explanation for deep sub-eutectic Ge NW growth, we find evidence of a substantial kinetic barrier to Au solidification during cooling below the nanoscale Au-Ge eutectic temperature. PMID:19206662

  12. On the Electronic Nature of the Surface Potential at the Vapor-Liquid Interface of Water

    SciTech Connect

    Kathmann, S M; Kuo, I; Mundy, C J

    2008-02-05

    The surface potential at the vapor-liquid interface of water is relevant to many areas of chemical physics. Measurement of the surface potential has been experimentally attempted many times, yet there has been little agreement as to its magnitude and sign (-1.1 to +0.5 mV). We present the first computation of the surface potential of water using ab initio molecular dynamics. We find that the surface potential {chi} = -18 mV with a maximum interfacial electric field = 8.9 x 10{sup 7} V/m. A comparison is made between our quantum mechanical results and those from previous molecular simulations. We find that explicit treatment of the electronic density makes a dramatic contribution to the electric properties of the vapor-liquid interface of water. The E-field can alter interfacial reactivity and transport while the surface potential can be used to determine the 'chemical' contribution to the real and electrochemical potentials for ionic transport through the vapor-liquid interface.

  13. Diameter-Independent Kinetics in the Vapor-Liquid-Solid Growth of Si Nanowires

    NASA Astrophysics Data System (ADS)

    Kodambaka, S.; Tersoff, J.; Reuter, M. C.; Ross, F. M.

    2006-03-01

    We examine individual Si nanowires grown by the vapor-liquid-solid mechanism, using real-time in situ ultra high vacuum transmission electron microscopy. By directly observing Au-catalyzed growth of Si wires from disilane, we show that the growth rate is independent of wire diameter, contrary to the expected behavior. Our measurements show that the unique rate-limiting step here is the irreversible, kinetically limited, dissociative adsorption of disilane directly on the catalyst surface. We also identify a novel dependence of growth rate on wire taper.

  14. Diameter-independent kinetics in the vapor-liquid-solid growth of Si nanowires.

    PubMed

    Kodambaka, S; Tersoff, J; Reuter, M C; Ross, F M

    2006-03-10

    We examine individual Si nanowires grown by the vapor-liquid-solid mechanism, using real-time in situ ultra high vacuum transmission electron microscopy. By directly observing Au-catalyzed growth of Si wires from disilane, we show that the growth rate is independent of wire diameter, contrary to the expected behavior. Our measurements show that the unique rate-limiting step here is the irreversible, kinetically limited, dissociative adsorption of disilane directly on the catalyst surface. We also identify a novel dependence of growth rate on wire taper. PMID:16606284

  15. Measurement of the bending strength of vapor-liquid-solid grown silicon nanowires.

    PubMed

    Hoffmann, Samuel; Utke, Ivo; Moser, Benedikt; Michler, Johann; Christiansen, Silke H; Schmidt, Volker; Senz, Stephan; Werner, Peter; Gösele, Ulrich; Ballif, Christophe

    2006-04-01

    The fracture strength of silicon nanowires grown on a [111] silicon substrate by the vapor-liquid-solid process was measured. The nanowires, with diameters between 100 and 200 nm and a typical length of 2 microm, were subjected to bending tests using an atomic force microscopy setup inside a scanning electron microscope. The average strength calculated from the maximum nanowire deflection before fracture was around 12 GPa, which is 6% of the Young's modulus of silicon along the nanowire direction. This value is close to the theoretical fracture strength, which indicates that surface or volume defects, if present, play only a minor role in fracture initiation. PMID:16608255

  16. Nanoscale sharpening tips of vapor-liquid-solid grown silicon microwire arrays

    NASA Astrophysics Data System (ADS)

    Goryu, Akihiro; Ikedo, Akihito; Ishida, Makoto; Kawano, Takeshi

    2010-03-01

    We developed out-of-plane, high aspect ratio, nanoscale tip silicon microwire arrays for application to penetrating, multisite, nanoscale biological sensors. Silicon microwire arrays selectively grown by gold-catalyzed vapor-liquid-solid growth of silicon can be formed to create sharpened nanotips with a tip diameter of less than 100 nm by utilizing batch-processed silicon chemical etching for only 1-3 min. The tip angles achieved ranged from 11° to 38°. The nanotip silicon microwires can perform gelatin penetration without wire breakdown, indicating their potential penetrating capability for measurements inside biological tissues.

  17. Low-temperature, vapor-liquid-solid, laterally grown silicon films using alloyed catalysts

    NASA Astrophysics Data System (ADS)

    LeBoeuf, Jerome L.; Brodusch, Nicolas; Gauvin, Raynald; Quitoriano, Nathaniel J.

    2014-12-01

    Using amorphous oxide templates known as micro-crucibles which confine a vapor-liquid-solid catalyst to a specific geometry, two-dimensional silicon thin-films of a single orientation have been grown laterally over an amorphous substrate and defects within crystals have been necked out. The vapor-liquid-solid catalysts consisted nominally of 99% gold with 1% titanium, chromium, or aluminum, and each alloy affected the processing of micro-crucibles and growth within them significantly. It was found that chromium additions inhibited the catalytic effect of the gold catalysts, titanium changed the morphology of the catalyst during processing and aluminum stabilized a potential third phase in the gold-silicon system upon cooling. Two mechanisms for growing undesired nanowires were identified both of which hindered the VLS film growth, fast silane cracking rates and poor gold etching, which left gold nanoparticles near the gold-vapor interface. To reduce the silane cracking rates, growth was done at a lower temperature while an engineered heat and deposition profile helped to reduce NWs caused by the second mechanism. Through experimenting with catalyst compositions, the fundamental mechanisms which produce concentration gradients across the gold-silicon alloy within a given micro-crucible have been proposed. Using the postulated mechanisms, micro-crucibles were designed which promote high-quality, single crystal growth of semiconductors.

  18. Nimbus 7 SMMR derived seasonal variations in the water vapor, liquid water, and surface winds over the global oceans

    NASA Technical Reports Server (NTRS)

    Prabhakara, C.; Short, D. A.

    1984-01-01

    A study based on monthly mean maps of atmospheric water vapor, liquid water, and surface wind derived from Nimbus-7 SMMR over the oceans for 13 months, is examined. A discussion of the retrieval technique used to derive the parameters is presented. The seasonal changes in the strength and position of several of the parameter features are revealed by the December 1978 and June 1979 maps. Zonal averages of the water vapor, liquid water, and surface wind for December and June are compared with information derived from conventional measurements and the results are presented in graphs.

  19. Broad compositional tunability of indium tin oxide nanowires grown by the vapor-liquid-solid mechanism

    SciTech Connect

    Zervos, M. Giapintzakis, J.; Mihailescu, C. N.; Luculescu, C. R.; Florini, N.; Komninou, Ph.; Kioseoglou, J.; Othonos, A.

    2014-05-01

    Indium tin oxide nanowires were grown by the reaction of In and Sn with O{sub 2} at 800 °C via the vapor-liquid-solid mechanism on 1 nm Au/Si(001). We obtain Sn doped In{sub 2}O{sub 3} nanowires having a cubic bixbyite crystal structure by using In:Sn source weight ratios > 1:9 while below this we observe the emergence of tetragonal rutile SnO{sub 2} and suppression of In{sub 2}O{sub 3} permitting compositional and structural tuning from SnO{sub 2} to In{sub 2}O{sub 3} which is accompanied by a blue shift of the photoluminescence spectrum and increase in carrier lifetime attributed to a higher crystal quality and Fermi level position.

  20. On the existence of vapor-liquid phase transition in dusty plasmas

    SciTech Connect

    Kundu, M.; Sen, A.; Ganesh, R.; Avinash, K.

    2014-10-15

    The phenomenon of phase transition in a dusty-plasma system (DPS) has attracted some attention in the past. Earlier Farouki and Hamaguchi [J. Chem. Phys. 101, 9876 (1994)] have demonstrated the existence of a liquid to solid transition in DPS where the dust particles interact through a Yukawa potential. However, the question of the existence of a vapor-liquid (VL) transition in such a system remains unanswered and relatively unexplored so far. We have investigated this problem by performing extensive molecular dynamics simulations which show that the VL transition does not have a critical curve in the pressure versus volume diagram for a large range of the Yukawa screening parameter κ and the Coulomb coupling parameter Γ. Thus, the VL phase transition is found to be super-critical, meaning that this transition is continuous in the dusty plasma model given by Farouki and Hamaguchi. We provide an approximate analytic explanation of this finding by means of a simple model calculation.

  1. Oscillatory Mass Transport in Vapor-Liquid-Solid Growth of Sapphire Nanowires

    SciTech Connect

    Oh, Sang Ho; Chisholm, Matthew F; Kauffmann, Yaron; Kaplan, Prof. Wayne D.; Luo, Weidong; Ruhle, M.; Scheu, Christina

    2010-01-01

    In vapor-liquid-solid (VLS) growth, the liquid phase plays a pivotal role in mediating mass transport from the vapor source to the growth front of a nanowire. Such transport often takes place through the liquid phase. However, we observed by in situ transmission electron microscopy a different behavior for self-catalytic VLS growth of sapphire nanowires. The growth occurs in a layer-by-layer fashion and is accomplished by interfacial diffusion of oxygen through the ordered liquid aluminum atoms. Oscillatory growth and dissolution reactions at the top rim of the nanowires occur and supply the oxygen required to grow a new (0006) sapphire layer. A periodic modulation of the VLS triple-junction configuration accompanies these oscillatory reactions.

  2. Atomic characterization of Au clusters in vapor-liquid-solid grown silicon nanowires

    SciTech Connect

    Chen, Wanghua; Roca i Cabarrocas, Pere; Pareige, Philippe; Castro, Celia; Xu, Tao; Grandidier, Bruno; Stiévenard, Didier

    2015-09-14

    By correlating atom probe tomography with other conventional microscope techniques (scanning electron microscope, scanning transmission electron microscope, and scanning tunneling microscopy), the distribution and composition of Au clusters in individual vapor-liquid-solid grown Si nanowires is investigated. Taking advantage of the characteristics of atom probe tomography, we have developed a sample preparation method by inclining the sample at certain angle to characterize the nanowire sidewall without using focused ion beam. With three-dimensional atomic scale reconstruction, we provide direct evidence of Au clusters tending to remain on the nanowire sidewall rather than being incorporated into the Si nanowires. Based on the composition measurement of Au clusters (28% ± 1%), we have demonstrated the supersaturation of Si atoms in Au clusters, which supports the hypothesis that Au clusters are formed simultaneously during nanowire growth rather than during the cooling process.

  3. Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential

    SciTech Connect

    Maerzke, K A; McGrath, M J; Kuo, I W; Tabacchi, G; Siepmann, J I; Mundy, C J

    2009-03-16

    Gibbs ensemble Monte Carlo simulations were carried out to investigate the properties of a frozen-electron-density (or Kim-Gordon, KG) model of water along the vapor-liquid coexistence curve. Because of its theoretical basis, such a KG model provides for seamless coupling to Kohn-Sham density functional theory for use in mixed quantum mechanics/molecular mechanics (QM/MM) implementations. The Gibbs ensemble simulations indicate rather limited transferability of such a simple KG model to other state points. Specifically, a KG model that was parameterized by Barker and Sprik to the properties of liquid water at 300 K, yields saturated vapor pressures and a critical temperature that are significantly under- and over-estimated, respectively.

  4. Physical model of the vapor-liquid (insulator-metal) transition in an exciton gas

    NASA Astrophysics Data System (ADS)

    Khomkin, A. L.; Shumikhin, A. S.

    2015-04-01

    We propose a simple physical model describing the transition of an exciton gas to a conducting exciton liquid. The transition occurs due to cohesive coupling of excitons in the vicinity of the critical point, which is associated with transformation of the exciton ground state to the conduction band and the emergence of conduction electrons. We calculate the cohesion binding energy for the exciton gas and, using it, derive the equations of state, critical parameters, and binodal. The computational method is analogous to that used by us earlier [5] for predicting the vapor-liquid (insulator-metal) phase transition in atomic (hypothetical, free of molecules) hydrogen and alkali metal vapors. The similarity of the methods used for hydrogen and excitons makes it possible to clarify the physical nature of the transition in the exciton gas and to predict more confidently the existence of a new phase transition in atomic hydrogen.

  5. Vapor-Liquid-Solid Etch of Semiconductor Surface Channels by Running Gold Nanodroplets.

    PubMed

    Nikoobakht, Babak; Herzing, Andrew; Muramoto, Shin; Tersoff, Jerry

    2015-12-01

    We show that Au nanoparticles spontaneously move across the (001) surface of InP, InAs, and GaP when heated in the presence of water vapor. As they move, the particles etch crystallographically aligned grooves into the surface. We show that this process is a negative analogue of the vapor-liquid-solid (VLS) growth of semiconductor nanowires: the semiconductor dissolves into the catalyst and reacts with water vapor at the catalyst surface to create volatile oxides, depleting the dissolved cations and anions and thus sustaining the dissolution process. This VLS etching process provides a new tool for directed assembly of structures with sublithographic dimensions, as small as a few nanometers in diameter. Au particles above 100 nm in size do not exhibit this process but remain stationary, with oxide accumulating around the particles. PMID:26599639

  6. Atomic characterization of Au clusters in vapor-liquid-solid grown silicon nanowires

    NASA Astrophysics Data System (ADS)

    Chen, Wanghua; Pareige, Philippe; Castro, Celia; Xu, Tao; Grandidier, Bruno; Stivenard, Didier; Roca i Cabarrocas, Pere

    2015-09-01

    By correlating atom probe tomography with other conventional microscope techniques (scanning electron microscope, scanning transmission electron microscope, and scanning tunneling microscopy), the distribution and composition of Au clusters in individual vapor-liquid-solid grown Si nanowires is investigated. Taking advantage of the characteristics of atom probe tomography, we have developed a sample preparation method by inclining the sample at certain angle to characterize the nanowire sidewall without using focused ion beam. With three-dimensional atomic scale reconstruction, we provide direct evidence of Au clusters tending to remain on the nanowire sidewall rather than being incorporated into the Si nanowires. Based on the composition measurement of Au clusters (28% 1%), we have demonstrated the supersaturation of Si atoms in Au clusters, which supports the hypothesis that Au clusters are formed simultaneously during nanowire growth rather than during the cooling process.

  7. Physical model of the vapor-liquid (insulator-metal) transition in an exciton gas

    SciTech Connect

    Khomkin, A. L. Shumikhin, A. S.

    2015-04-15

    We propose a simple physical model describing the transition of an exciton gas to a conducting exciton liquid. The transition occurs due to cohesive coupling of excitons in the vicinity of the critical point, which is associated with transformation of the exciton ground state to the conduction band and the emergence of conduction electrons. We calculate the cohesion binding energy for the exciton gas and, using it, derive the equations of state, critical parameters, and binodal. The computational method is analogous to that used by us earlier [5] for predicting the vapor-liquid (insulator-metal) phase transition in atomic (hypothetical, free of molecules) hydrogen and alkali metal vapors. The similarity of the methods used for hydrogen and excitons makes it possible to clarify the physical nature of the transition in the exciton gas and to predict more confidently the existence of a new phase transition in atomic hydrogen.

  8. Measurements of the vapor-liquid coexistence curve and the critical parameters for 1,1,1,2-tetrafluoroethane

    SciTech Connect

    Kabata, Y.; Tanikawa, S.; Uematsu, M.; Watanabe, K. )

    1989-05-01

    Measurements of the vapor-liquid coexistence curve in the critical region for 1,1,1,2-tetrafluoroethane (R134a; CH{sub 2}FCF{sub 3}), which is currently considered as a prospective substitute for conventional refrigerant R12, have been performed by visual observation of the disappearance of the meniscus at the vapor-liquid interface within an optical cell. Twenty-seven saturated densities along the vapor-liquid coexistence curve between 208 and 999 kg {times} m{sup {minus}3} have been obtained in the temperature range 343 K to the critical temperature. The experimental uncertainties in temperature and density measurements have been estimated to be within {plus minus} 10 mK and {plus minus} 0.55%, respectively. On the basis of these measurements near the critical point, the critical temperature and the critical density for 1,1,1,2-tetrafluoroethane were determined in consideration of the meniscus disappearing level as well as the intensity of the critical opalescence. In addition, the critical exponent {beta} along the vapor-liquid coexistence curve has been determined in accord with the difference between the density of the saturated liquid and that of the saturated vapor.

  9. Measurements of the Vapor-Liquid Coexistence Curves and the Critical Parameters of HCFC123 and HFC134a

    NASA Astrophysics Data System (ADS)

    Fukushima, Masato; Watanabe, Naohiro; Kamimura, Toru

    The critical parameters and vapor-liquid coexistence curves in the critical region of two environmentally acceptable hydrogen-containing halocarbons (HCFC123 and HFC134a) were determined experimentally. The measurements of vapor-liquid coexistence curves were made through visual observation of the disappearance of meniscus at the vapor-liquid interface within the optical cell. Thirty eight saturated densities in the range of 209 to 1176 kg/m3 were obtained between the temperature of 392 K and the critical temperature for HCFC123. And seventeen saturated densities in the range of 322 to 746 kg/m3 were obtained between the temperature of 370 K and the critical temperature for HFC134a. On the basis of these results, the critical temperature and critical density of HCFC123 were determined to be 456.94 K and 553 kg/m3, respectively. And these parameters of HFC134a were determined to be 374.18 K and 507 kg/m3. In addition, the critical exponents were determined and the correlation of vapor-liquid coexistence curves were developed.

  10. Isothermal and isobaric desorption of carbon dioxide by purge

    SciTech Connect

    Sircar, S.; Golden, T.C.

    1995-08-01

    Adsorption and desorption constitute the two most basic steps in all pressure swing adsorption (PSA) processes for gas separation. The desorption steps are the primary energy-consuming steps in the PSA process. They also dictate the overall separation efficiency. Isothermal and isobaric desorption of carbon dioxide was experimentally evaluated by purging adsorbent columns saturated with pure carbon dioxide with pure hydrogen, nitrogen, and methane. Three different activated carbons and two zeolites were investigated as adsorbents. The effects of purge gas flow rate, system pressure and temperature, strength of carbon dioxide adsorption, and selectivity of adsorption between carbon dioxide and the purge gas on the desorption process were measured. Instantaneous local equilibrium between gas and adsorbed phases was established under the conditions of the experiments. An analytical mathematical model for isothermal and isobaric desorption of binary gas mixtures by purge was developed. It was demonstrated that the efficiency of desorption by purge can be increased by (1) lowering the desorption pressure, (2) increasing the adsorbent temperature, and (3) increasing the selectivity of adsorption of the purge gas over the desorbing component.

  11. Isothermal vapor-liquid equilibrium of 1,2-dibromoethane + tetrachlorolmethane at temperatures between 283. 15 and 323. 15 K

    SciTech Connect

    Perez, P.; Valero, J.; Gracia, M. . Dept. de Quimica Organica-Quimica Fisica)

    1994-10-01

    Vapor pressures of 1, 2-dibromoethane + tetrachlormethane, at 5 K interval between 283.15 and 323.15 K, were measured by a static method. Activity coefficients and excess molar Gibbs free energies G[sup E] were calculated by Barker's method. Reduction of the vapor pressure results is well represented by the Redlich-Kister, Wilson, and NRTL correlations.

  12. Isobar Configurations in the Ground State of Nuclei. Effective Polarization of an Isobar

    NASA Astrophysics Data System (ADS)

    Banin, R. O.; Glavanakov, I. V.; Tabachenko, A. N.

    2016-03-01

    An analysis of the effective polarization of the ∆++ isobar formed in a nucleus as a result of the virtual transition pp→∆++ n, and manifested in the reaction 16O(γ, π+ p)15C , is performed. The polarization of the isobar is analyzed within the framework of the ∆N correlation model of the A(γ, πN)B reaction, which takes account of the dynamic coupling between the isobar and a nucleon of the system ∆++ n.

  13. Studies of epitaxial silicon nanowire growth by the vapor-liquid-solid mechanism

    NASA Astrophysics Data System (ADS)

    Aella, Pavan Reddy K.

    2007-12-01

    Silicon nanowires were grown epitaxially on Si (100) and (111) surfaces using the Vapor-Liquid-Solid (VLS) mechanism under both thermal and plasma enhanced growth conditions. Silane and disilane were used as source gases. Plasma excitation at low growth temperatures is found to strongly enhance nanowire growth rates and promote the nucleation of smaller diameter <110> oriented silicon nanowires relative to the larger diameter <111> nanowires. The higher nucleation rate for <110> nanowires during plasma excitation is attributed to a plasma-induced increase in silicon chemical potential. From this study, plasma excitation can be concluded to enable an additional degree of control over nanowire orientation. In low power radio frequency silane plasma, SiH3 are the dominant radical species in the gas phase. These reactive radicals formed in the plasma "bypass" the SiH 4 → SiH3 decomposition step on the liquid AuSi interface required for growth under thermal growth conditions, thereby leading to faster incorporation rates into the melt and hence promoting higher growth rates. Also consistent with this interpretation is the strong reduction in nucleation times in the presence of plasma. The nanowire growth rate shows a linear dependence with plasma power. The activation energy decreases from 0.78 eV under thermal growth conditions to 0.23 eV for a 2.5 W radio frequency plasma stimulated conditions. This decreased activation energy for growth under plasma excitation indicates that the rate limiting step for VLS growth of Si nanowires using Au as a catalyst is at the vapor-liquid interface. The growth under plasma conditions is dominated by the plasma influenced decomposition step and this strong reduction in the activation energy under silane plasma is consistent with a change in the rate limiting step. Growth kinetics between silane and disilane reveals an incorporation coefficient of Si, 60 to 80 times higher with disilane. This results in higher growth rates with disilane molecules and is due to the higher reactivity of disilane molecules. A linear relationship between growth rate and partial pressure of disilane has been observed. Plasma excitation thus provides key new information to better understand the rate determining factors for silicon nanowire growth.

  14. Isobaric identification techniques of AMS at CIAE

    NASA Astrophysics Data System (ADS)

    Li, Chaoli; Guan, Yongjing; Jiang, Shan; He, Ming; Ruan, Xiangdong; Wang, Wei; Zhang, Dawei; Yuan, Jian; Wu, Shaoyong; Dong, Kejun

    2010-04-01

    Some long-lived nuclides, such as 36Cl, 41Ca, 53Mn, 79Se, etc., are very interested in life science, environment science, geo- and cosmo-sciences, nuclear wastes management, and other fields. Taking the advantages in high sensitivity and the strong ability to reduce the interferences from molecular ions and isobars, AMS has been one of the most promising methods for the measurement of these nuclides. However, the sensitivity of AMS is often unsatisfactory due to the interferences of stable isobars especially for medium and heavy radioisotopes. Gas-filled time of flight (GF-TOF), Gas-filled Magnet with a time of flight (GFM-TOF), Bragg Curve detector and energy loss (Δ E) combined with a Q3D magnetic spectrometer (Δ E-Q3D) are among the techniques used or being developed in AMS lab of China Institute of Atomic Energy, in an attempt to further reduce the interferences from isobars. These techniques will be tested in our AMS measurement of 53Mn, 79Se, 93Zr, 99Tc, etc., for identifying isobaric interferences.

  15. Field Emission studies of Silicon nanowires grown by Vapor-Liquid-Solid (VLS) technique

    NASA Astrophysics Data System (ADS)

    Kulkarni, Niraj; Bae, Joonho; Stanley, Scott; Coffee, Shawn; Ekerdt, John; Yao, Zhen; Shih, Chih-Kang

    2004-03-01

    Semiconductor nanowires among other 1-D nanostructures are potential candidates for field emission applications by virtue of their small tip radii and large aspect ratios. In this regard field emission properties of silicon nanowires are investigated. Silicon as a material has processing advantages over others because it has been well researched over the past decades. Silicon nanowires are grown by hot wire chemical vapor deposition (CVD) of disilane at approximately 600 C. The growth takes place via vapor-liquid-solid (VLS) mechanism with a thin film (20 nm) of gold acting as a catalyst. VLS growth enables large area coverage and also offers scalability. Field emission studies of these samples will be reported. Preliminary studies indicate a threshold field of 10-15 V/μ m. As a consequence of VLS growth, the catalyst (gold) resides at the tip of the nanowire and can be etched away by aqua regia. The effect of gold removal on the field emission characteristics will be reported. Silicon also offers an additional degree of freedom in terms of doping to engineer the position of the Fermi level. The effect of doping on the field emission characteristics will also be reported.

  16. Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential

    SciTech Connect

    Maerzke, Katie A.; McGrath, M. J.; Kuo, I-F W.; Tabacchi, Gloria; Siepmann, Joern I.; Mundy, Christopher J.

    2009-09-07

    Gibbs ensemble Monte Carlo simulations were carried out to investigate the properties of a frozen-electron-density (or Kim-Gordon, KG) model of water along the vapor-liquid coexistence curve. Because of its theoretical basis, such a KG model provides for seamless coupling to Kohn-Sham density functional theory for use in mixed quantum mechanics/molecular mechanics (QM/MM) implementations. The Gibbs ensemble simulations indicate rather limited transferability of such a simple KG model to other state points. Specifically, a KG model that was parameterized by Barker and Sprik to the properties of liquid water at 300 K, yields saturated vapor pressures and a critical temperature that are significantly under- and overestimated, respectively. We present a comprehensive density functional theory study to asses the accuracy of two popular exchange correlation functionals on the structure and density of liquid water at ambient conditions This work was supported by the US Department of Energy Office of Basic Energy Science Chemical Sciences Program. Battelle operates Pacific Northwest National Laboratory for the US Department of Energy.

  17. Thermodynamic models for vapor-liquid equilibria of nitrogen + oxygen + carbon dioxide at low temperatures

    NASA Astrophysics Data System (ADS)

    Vrabec, Jadran; Kedia, Gaurav Kumar; Buchhauser, Ulrich; Meyer-Pittroff, Roland; Hasse, Hans

    2009-02-01

    For the design and optimization of CO 2 recovery from alcoholic fermentation processes by distillation, models for vapor-liquid equilibria (VLE) are needed. Two such thermodynamic models, the Peng-Robinson equation of state (EOS) and a model based on Henry's law constants, are proposed for the ternary mixture N 2 + O 2 + CO 2. Pure substance parameters of the Peng-Robinson EOS are taken from the literature, whereas the binary parameters of the Van der Waals one-fluid mixing rule are adjusted to experimental binary VLE data. The Peng-Robinson EOS describes both binary and ternary experimental data well, except at high pressures approaching the critical region. A molecular model is validated by simulation using binary and ternary experimental VLE data. On the basis of this model, the Henry's law constants of N 2 and O 2 in CO 2 are predicted by molecular simulation. An easy-to-use thermodynamic model, based on those Henry's law constants, is developed to reliably describe the VLE in the CO 2-rich region.

  18. Application of artificial intelligence control to the vapor-liquid-solid silicon carbide whisker process

    SciTech Connect

    Shalek, P.D.; Parkinson, W.J.

    1989-01-01

    Silicon carbide whiskers have excellent mechanical and chemical properties, making them very desirable as a reinforcement for structural ceramic and other composite materials. Los Alamos has developed a laboratory-scale batch process for producing very high quality SiC whiskers by the vapor-liquid-solid (VLS) method which is an active candidate for technology transfer involving significant scale-up. The process, however, involves quite complex chemical/physical and parametric relationships and has not as yet lent itself successfully to modeling. An expert computer system was therefore developed to facilitate the transfer of this technology to industry. Optimum conditions were determined by relating the many process parameters to product results to establish a set of rules for running the process. These are incorporated in a two-phase expert system designed to guide inexperienced users. In Phase 1, an expert consultant program provides the user with information that enables him to set up the run. This information is incorporated into the rule base that makes up Phase 2 --- the control system. At present, the operator functions as the controller by responding to the decisions of the expert system; automation can be added later. 13 refs., 16 figs.

  19. Influences of depletion potential on vapor-liquid critical point metastability

    NASA Astrophysics Data System (ADS)

    Zhou, S.; Liu, G.

    2016-04-01

    Phase behavior of a neutral colloid dispersion is investigated based on an improved Asakura-Oosawa (AO) model. Several observations are made: (i) an increase of solvent fugacity can enlarge the fluid-solid (FS) coexistence region, and this makes fugacity become a powerful factor in tuning a vapor-liquid transition (VLT) critical point metastability. (ii) A reducing of size ratio of the solvent versus colloid particle can enlarge the FS coexistence region as well as lower the VLT critical temperature, and a combination of the two effects makes the size ratio an extremely powerful factor adjusting the VLT critical point metastability. (iii) Existence of a long-range attraction term in the effective colloid potential is not a necessary condition for occurrence of a vapor-solid transition (VST), and short-ranged oscillatory depletion potential also can induce the VST over an even broader temperature range. (iv) Sensitivity of the freezing line on the size ratio is disclosed, and one can make use of the sensitivity to prepare mono-disperse colloid of well-controlled diameter by following a fractionated crystallization scheme; moreover, broadening of the FST coexistence region by raising the solvent fugacity and/or lowering the size ratio has important implication for crystallization process.

  20. Spontaneous, Defect-Free Kinking via Capillary Instability during Vapor-Liquid-Solid Nanowire Growth.

    PubMed

    Li, Yanying; Wang, Yanming; Ryu, Seunghwa; Marshall, Ann F; Cai, Wei; McIntyre, Paul C

    2016-03-01

    Kinking, a common anomaly in nanowire (NW) vapor-liquid-solid (VLS) growth, represents a sudden change of the wire's axial growth orientation. This study focuses on defect-free kinking during germanium NW VLS growth, after nucleation on a Ge (111) single crystal substrate, using Au-Ge catalyst liquid droplets of defined size. Statistical analysis of the fraction of kinked NWs reveals the dependence of kinking probability on the wire diameter and the growth temperature. The morphologies of kinked Ge NWs studied by electron microscopy show two distinct, defect-free, kinking modes, whose underlying mechanisms are explained with the help of 3D multiphase field simulations. Type I kinking, in which the growth axis changes from vertical [111] to ⟨110⟩, was observed in Ge NWs with a nominal diameter of ∼20 nm. This size coincides with a critical diameter at which a spontaneous transition from ⟨111⟩ to ⟨110⟩ growth occurs in the phase field simulations. Larger diameter NWs only exhibit Type II kinking, in which the growth axis changes from vertical [111] directly to an inclined ⟨111⟩ axis during the initial stages of wire growth. This is caused by an error in sidewall facet development, which produces a shrinkage in the area of the (111) growth facet with increasing NW length, causing an instability of the Au-Ge liquid droplet at the tip of the NW. PMID:26837774

  1. Fabrication and performance evaluation of a high temperature co-fired ceramic vaporizing liquid microthruster

    NASA Astrophysics Data System (ADS)

    How Cheah, Kean; Low, Kay-Soon

    2015-01-01

    This paper presents the study of a microelectromechanical system (MEMS)-scaled microthruster using ceramic as the structural material. A vaporizing liquid microthruster (VLM) has been fabricated using the high temperature co-fired ceramic (HTCC) technology. The developed microthruster consists of five components, i.e. inlet, injector, vaporizing chamber, micronozzle and microheater, all integrated in a chip with a dimension of 30 mm × 26 mm × 8 mm. In the dry test, the newly developed microheater which is deposited on zirconia substrate consumes 21% less electrical power than those deposited on silicon substrate to achieve a temperature of 100 °C. Heating temperature as high as 409.1 °C can be achieved using just 5 W of electrical power. For simplicity and safety, a functional test of the VLM with water as propellant has been conducted in the laboratory. Full vaporization of water propellant feeding at different flow rates has been successfully demonstrated. A maximum thrust of 633.5 µN at 1 µl s-1 propellant consumption rate was measured using a torsional thrust stand.

  2. Nickel oxide nanowires: vapor liquid solid synthesis and integration into a gas sensing device.

    PubMed

    Kaur, N; Comini, E; Zappa, D; Poli, N; Sberveglieri, G

    2016-05-20

    In the field of advanced sensor technology, metal oxide nanostructures are promising materials due to their high charge carrier mobility, easy fabrication and excellent stability. Among all the metal oxide semiconductors, nickel oxide (NiO) is a p-type semiconductor with a wide band gap and excellent optical, electrical and magnetic properties, which has not been much investigated. Herein, we report the growth of NiO nanowires by using the vapor liquid solid (VLS) technique for gas sensing applications. Platinum, palladium and gold have been used as a catalyst for the growth of NiO nanowires. The surface morphology of the nanowires was investigated through scanning electron microscopy to find out which catalyst and growth conditions are best for the growth of nanowires. GI-XRD and Raman spectroscopies were used to confirm the crystalline structure of the material. Different batches of sensors have been prepared, and their sensing performances towards different gas species such as carbon monoxide, ethanol, acetone and hydrogen have been explored. NiO nanowire sensors show interesting and promising performances towards hydrogen. PMID:27053627

  3. Nickel oxide nanowires: vapor liquid solid synthesis and integration into a gas sensing device

    NASA Astrophysics Data System (ADS)

    Kaur, N.; Comini, E.; Zappa, D.; Poli, N.; Sberveglieri, G.

    2016-05-01

    In the field of advanced sensor technology, metal oxide nanostructures are promising materials due to their high charge carrier mobility, easy fabrication and excellent stability. Among all the metal oxide semiconductors, nickel oxide (NiO) is a p-type semiconductor with a wide band gap and excellent optical, electrical and magnetic properties, which has not been much investigated. Herein, we report the growth of NiO nanowires by using the vapor liquid solid (VLS) technique for gas sensing applications. Platinum, palladium and gold have been used as a catalyst for the growth of NiO nanowires. The surface morphology of the nanowires was investigated through scanning electron microscopy to find out which catalyst and growth conditions are best for the growth of nanowires. GI-XRD and Raman spectroscopies were used to confirm the crystalline structure of the material. Different batches of sensors have been prepared, and their sensing performances towards different gas species such as carbon monoxide, ethanol, acetone and hydrogen have been explored. NiO nanowire sensors show interesting and promising performances towards hydrogen.

  4. Isothermal vapor-liquid equilibria for 1,1,1,2-tetrafluoroethane + propane and propane + 1,1,1,-trifluoroethane at 283.18 K

    SciTech Connect

    Stryjek, R.; Bobbo, S.; Camporese, R.

    1998-03-01

    Isothermal vapor-liquid equilibria (VLE) for the binary systems 1,1,1,2-tetrafluoroethane (R134a) + propane (R290) and propane + 1,1,1-trifluoroethane (R143a) were measured at 283.18 K using a recirculation apparatus in which the vapor phase was forced through the liquid. The phase composition at equilibrium was measured by gas chromatography, calibrating its response using gravimetrically prepared mixtures. The data were correlated using the Carnahan-Starling-De Santis and Peng-Robinson equations of state. The authors found positive homoazeotropes for R134a (1) + R290 (2) at a pressure P = 1,000.5 kPa and a composition x{sub 1} = 0.386, and for R290 (1) + R143a (2) at P = 796 kPa and x{sub 1} = 0.363. For the R134a + R290 there was a valid consistency with the values reported in the literature.

  5. Vapor-liquid equilibria in the system NH{sub 3} + H{sub 2}O + LiBr. 2: Data correlation

    SciTech Connect

    Peters, R.; Korinth, C.; Keller, J.U.

    1995-07-01

    The systems ammonia + water (NH{sub 3} + H{sub 2}O) and water + lithium bromide (H{sub 2}O + LiBr) provide two working pairs most often used today in air-conditioning systems and systems for reusing industrial waste heat, such as absorption heat pumps and heat transformers. A quasi-chemical reaction model has been developed to correlate vapor-liquid equilibrium data for the system ammonia (NH{sub 3}) + water (H{sub 2}O) + lithium bromide (LiBr) in the temperature range form 303.15 to 473.15 K and at pressures up to 2.0 MPa. this model assumes the formation of ion clusters, i.e., Li{sup +} and Br{sup {minus}} ions surrounded by ammonia and water molecules. Further, ammonia nd water molecules are assumed to form a second species of complexes. The activities of the various components in the liquid phase are modeled by the NRTL equation. The vapor phase, assumed to consist of ammonia and water only, is modeled by the equation of state of Ishikawa, Chung, and Lu.

  6. Rational Concept for Designing Vapor-Liquid-Solid Growth of Single Crystalline Metal Oxide Nanowires.

    PubMed

    Klamchuen, Annop; Suzuki, Masaru; Nagashima, Kazuki; Yoshida, Hideto; Kanai, Masaki; Zhuge, Fuwei; He, Yong; Meng, Gang; Kai, Shoichi; Takeda, Seiji; Kawai, Tomoji; Yanagida, Takeshi

    2015-10-14

    Metal oxide nanowires hold great promise for various device applications due to their unique and robust physical properties in air and/or water and also due to their abundance on Earth. Vapor-liquid-solid (VLS) growth of metal oxide nanowires offers the high controllability of their diameters and spatial positions. In addition, VLS growth has applicability to axial and/or radial heterostructures, which are not attainable by other nanowire growth methods. However, material species available for the VLS growth of metal oxide nanowires are substantially limited even though the variety of material species, which has fascinating physical properties, is the most interesting feature of metal oxides. Here we demonstrate a rational design for the VLS growth of various metal oxide nanowires, based on the "material flux window". This material flux window describes the concept of VLS nanowire growth within a limited material flux range, where nucleation preferentially occurs only at a liquid-solid interface. Although the material flux was previously thought to affect primarily the growth rate, we experimentally and theoretically demonstrate that the material flux is the important experimental variable for the VLS growth of metal oxide nanowires. On the basis of the material flux window concept, we discover novel metal oxide nanowires, composed of MnO, CaO, Sm2O3, NiO, and Eu2O3, which were previously impossible to form via the VLS route. The newly grown NiO nanowires exhibited stable memristive properties superior to conventional polycrystalline devices due to the single crystallinity. Thus, this VLS design route offers a useful guideline for the discovery of single crystalline nanowires that are composed of functional metal oxide materials. PMID:26372675

  7. Vapor-liquid equilibria for copolymer+solvent systems: Effect of intramolecular repulsion

    SciTech Connect

    Gupta, R.B.; Prausnitz, J.M.

    1995-03-01

    Role of intramolecular interactions in blend miscibility is well documented for polymer+copolymer mixtures. Some copolymer+polymer mixtures are miscible although their corresponding homopolymers are not miscible; for example, over a range of acrylonitrile content, styrene/acrylonitrile copolymers are miscible with poly(methyl methacrylate) but neither polystyrene nor polyacrylonitrile is miscible with poly(methyl methacrylate). Similarly, over a composition range, butadiene/acrylonitrile copolymers are miscible with poly(vinyl chloride) while none of the binary combinations of the homopolymers [polybutadiene, polyacrylonitrile, and poly(vinyl chloride)] are miscible. This behavior has been attributed to ``intramolecular repulsion`` between unlike copolymer segments. We have observed similar behavior in vapor-liquid equilibria (VLE) of copolymer+solvent systems. We find that acrylonitrile/butadiene copolymers have higher affinity for acetonitrile solvent than do polyacrylonitrile or polybutadiene. We attribute this non-intuitive behavior to ``intramolecular repulsion`` between unlike segments of the copolymer. This repulsive interaction is weakened when acetonitrile molecules are in the vicinity of unlike copolymer segments, favoring copolymer+solvent miscibility. We find similar behavior when acetonitrile is replaced by methyl ethyl ketone. To best knowledge, this effect has not been reported previously for VLE. We have obtained VLE data for mixtures containing a solvent and a copolymer as a function of copolymer composition. It appears that, at a given solvent partial pressure, there may be copolymer composition that yields maximum absorption of the solvent. This highly non-ideal VLE phase behavior may be useful for optimum design of a membrane for a separation process.

  8. Correlation of Zeno (Z = 1) line for supercritical fluids with vapor-liquid rectilinear diameters

    SciTech Connect

    Ben-Amotz, D.; Herschbach, D.R.

    1996-08-01

    For a wide range of substances, extending well beyond the regime of corresponding states behavior, the contour in the temperature-density plane along which the compressibility factor Z = P/{rho}kT is the same as for an ideal gas is nearly linear. This Z = 1 contour, termed the Zeno line, begins deep in the liquid region and ascends as the density decreases to the Boyle point of the supercritical fluid, specified by the temperature T{sub B} for which (dZ/d{rho}){sub T} = 0 as {rho} {r_arrow} 0; equivalent, at T{sub B} the second virial coefficient vanishes. The slope of the Z = 1 line is {minus}B{sub 3}/(dB{sub 2}/dT), in terms of the third virial coefficient and the derivative of the second, evaluated at T{sub B}. Previous work has examined the Zeno line as a means to extend corresponding states and to enhance other practical approximations. Here the authors call attention to another striking aspect, a strong correlation with the line of rectilinear diameters defined by the average of the subcritical vapor and liquid densities. This correlation is obeyed well by empirical data for many substances and computer simulations for a Lennard-jones potential; the ratios of the intercepts and slopes for the Zeno and rectilinear diameter liens are remarkably close to those predicted by the van der Waals equation, 8/9 and 16/9, respectively. Properties of the slightly imperfect fluid far above the critical point thus implicitly determine the diameter of the vapor-liquid coexistence curve below the critical point.

  9. Isobar Separator for Anions: Current status

    NASA Astrophysics Data System (ADS)

    Alary, Jean-François; Javahery, Gholamreza; Kieser, William; Zhao, Xiao-Lei; Litherland, Albert; Cousins, Lisa; Charles, Christopher

    2015-10-01

    The Isobar Separator for Anions (ISA) is an emerging separation technique of isobars applied first to the selective removal of 36S from 36Cl, achieving a relative suppression ratio of 6 orders of magnitude. Using a radio-frequency quadrupole (RFQ) column incorporating low energy gas cells, this innovative technique enables the use of a wide range of low energy ion-molecule reactions and collisional-induced dissociation processes for suppressing specific atomic of molecular anions with a high degree of selectivity. Other elemental pairs (analyte/isobar) successfully separated at AMS level include Ca/K, Sr/(Y, Zr), Cs/Ba, Hf/W and Pu/U. In view of these initial successes, an effort to develop a version of the ISA that can be used as a robust technique for routine AMS analysis has been undertaken. We will discuss the detailed layout of a practical ISA and the functional requirements that a combined ISA/AMS should meet. These concepts are currently being integrated in a pre-commercial ISA system that will be installed soon at the newly established A.E. Lalonde Laboratory in Ottawa, Canada.

  10. Vapor-liquid equilibria in the system NH{sub 3} + H{sub 2}O + LiBr. 1: Measurements at T = 303--423 K and p = 0.1--1.5 MPa

    SciTech Connect

    Peters, R.; Greb, O.; Korinth, C.; Zimmermann, A.; Keller, J.U.

    1995-07-01

    Mixtures of ammonia, water, and lithium bromide provide a working fluid for absorption heat pumps and heat transformers as they are used today, for example, for air-conditioning purposes. A static method described in a previous paper has been used to obtain vapor-liquid equilibrium data for the system ammonia (NH{sub 3}) + water (H{sub 2}O) + lithium bromide (LiBr) at four temperatures, 303.15, 333.15, 373.15, and 423.15 K, and pressures up to 1.5 MPa. The salt concentration in the liquid phase was chosen in the range 5--60 mass % LiBr in pure water.

  11. Vapor-liquid equilibria of the binary systems nitrogen + bromotrifluoromethane, + bromochlorodifluoromethane, + 1,1,1,2,3,3,3-heptafluoropropane, and + trifluoroiodomethane from 293.2 to 313.2 K and 30 to 100 bar

    SciTech Connect

    Lim, J.S.; Kim, J.D.

    1997-01-01

    Bromotrifluoromethane (halon-1301) and bromochlorodifluoromethane (halon-1211) have been used as clean, nontoxic, and effective fire extinguishing agents for a long time. But these compounds are being phased out because of their ozone-depletion potential. Isothermal vapor-liquid equilibria were measured in the binary systems nitrogen + bromotrifluoromethane, nitrogen + bromochlorodifluoromethane, nitrogen + 1,1,1,2,3,3,3-heptafluoropropane, and nitrogen + trifluoroiodomethane in a circulation-type equilibrium apparatus. The temperature range was (293.2 to 313.2) K and the pressure range was (30 to 100) bar. The experimental data were well correlated with the Peng-Robinson equation of state using the Wong and Sandler mixing rule, and the relevant parameters are presented.

  12. Growth of epitaxial silicon and germanium nanowires using the gold catalyzed vapor-liquid-solid mechanism

    NASA Astrophysics Data System (ADS)

    Dailey, Eric J.

    The growth of silicon and germanium nanowires and their nanowire heterostructures has been investigated using the gold catalyzed vapor-liquid-solid (VLS) mechanism. The Au catalyst particles were deposited under ultra high vacuum (UHV) conditions onto vicinal Si(111) surfaces using physical vapor deposition. Nanowires were grown in a home built UHV-chemical vapor deposition (CVD) chamber using silane, disilane, germane, and digermane as gas precursors. Silicon nanowire morphology was determined to be dependent on the stability of the gold catalyst particle at the tip of the nanowire. Specifically, silicon nanowires grow along <111> orientations when gold wets the nanowire sidewalls and along <112> orientations when gold does not wet the nanowire sidewalls except under a very narrow pressure range. The dependence of gold coverage on CVD parameters on the sidewalls of <111> and <112> silicon nanowires was also determined revealing a liquid metal wetting of cylinders phenomenon. A new "seedless" VLS mechanism for nanowire growth was also determined in which the Stranski-Krastanov planar gold layer on Si(111) dewets under certain CVD conditions resulting in 15 nm diameter gold seeds that then form nanowires via the VLS mechanism. Both core/shell and axial nanowire heterostructures were also investigated with a focus on the effect of nanowire orientation on heterostructure formation. For core/shell heterostructures, only the <110> germanium core/silicon shell heterostructures were determined to form with smooth shell deposition while all other orientations underwent shell roughening. Various germanium core diameters and silicon shell thicknesses for <110> germanium core/silicon shell heterostructures were analyzed to determine the effect of nanowire diameter on shell coherency limits and to determine the strain within the nanowire heterostructures. Lastly, axial nanowire heterostructures were investigated to determine the ability to form axial heterostructures using various nanowire orientations. Only the <110> silicon/germanium axial heterostructure yielded a high proportion of unkinked axial heterostructures while all other orientations yielded 5% or less unkinked axial heterostructures. The interface abruptness was also investigated for various silicon/germanium axial heterostructures with the germanium segment grown above and below the gold/silicon eutectic temperature. The most abrupt heterointerfaces were obtained for the samples grown beneath the eutectic temperature.

  13. High-pressure vapor-liquid equilibria for propane + 2-butanol, propylene + 2-butanol, and propane + 2-butanol + 2-propanol

    SciTech Connect

    Gros, H.P.; Zabaloy, M.S.; Brignole, E.A.

    1996-03-01

    The use of dual effect solvents (near critical extractant and high-pressure water entrainer), for the recovery and dehydration of alcohols from dilute aqueous solutions, has been proposed by Brignole et al. (1987). The present work is part of an experimental program undertaken to confirm the applicability of light hydrocarbons for this separation problem. Vapor-liquid equilibria have been measured for propane + 2-butanol, propylene + 2-butanol, and propane + 2-butanol + 2-propanol in the temperature range of (328.1 to 368.1) K and at pressures up to 44.45 bar. The data were correlated using a group contribution equation of state for associating mixtures.

  14. Experimental measurements of vapor-liquid equilibria of the H2O + CO2 + CH4 ternary system

    USGS Publications Warehouse

    Qin, J.; Rosenbauer, R.J.; Duan, Zhenhao

    2008-01-01

    Reported are the experimental measurements on vapor-liquid equilibria in the H2O + CO2 + CH4 ternary system at temperatures from (324 to 375) K and pressures from (10 to 50) MPa. The results indicate that the CH4 solubility in the ternary mixture is about 10 % to 40 % more than that calculated by interpolation from the Henry's law constants of the binary system, H2O + CH4, and the solubility of CO2 is 6 % to 20 % more than what is calculated by the interpolation from the Henry's law constants of the binary mixture, H 2O + CO2. ?? 2008 American Chemical Society.

  15. Engineering scale development of the Vapor-Liquid-Solid (VLS) process for the production of silicon carbide fibrils

    SciTech Connect

    Hollar, W.E. Jr.; Mills, W.H.

    1993-09-01

    Vapor-liquid-solid (VLS)SiC fibrils are used as reinforcement in ceramic matrix composites (CMC). A program has been completed for determining process scaleup parameters and to produce material for evaluation in a CMC. The scaleup is necessary to lower production cost and increase material availability. Scaleup parameters were evaluated in a reactor with a vertical dimension twice that of the LANL reactor. Results indicate that the scaleup will be possible. Feasibility of recycling process gas was demonstrated and the impact of postprocessing on yields determined.

  16. First principles Monte Carlo simulations of vapor--liquid equilibria: Density functionals, basis sets, and dispersion corrections

    NASA Astrophysics Data System (ADS)

    Siepmann, J. Ilja; McGrath, Matthew J.; Kuo, I.-F. William; Mundy, Christopher J.

    2012-02-01

    Gibbs ensemble Monte Carlo simulations are used to compute the vapor--liquid equilibria for water, methanol, and methane using Kohn-Sham density functional theory. Results for BLYP and PBE functionals, BLYP with Grimme D2 and D3 dispersion corrections, and various basis sets are compared. Although none of the combinations of functional, dispersive correction, and basis set is found to yield highly accurate predictions for liquid densities, vapor pressures, and heats of vaporization for all three compounds, the results for dispersion corrected BLYP with large basis set are promising.

  17. Liquid-vapor equilibrium under elevated pressures in the systems formed by pentanes with sulfur compounds

    SciTech Connect

    Shakirzyanov, R.G.; Telyakov, E.S.; Serafimov, L.A.

    1982-10-20

    The possibility of removing sulfur compounds from the pentane fraction was studied. Experimental data obtained on liquid-vapor equilibrium in the system formed by pentanes with sulfur compounds under elevated pressures is presented. Vapor-liquid equilibrium was studied with the aid of a modified Swietoslawski apparatus made of stainless steel. Experimental data on phase equilibria of binary mixtures in the system studied are presented. The compositions and boiling points of binary azeotropes at the pressures studied are also presented.

  18. About the equilibrium speed of sound in a liquid with gas-vapor bubbles

    NASA Astrophysics Data System (ADS)

    Gubaidullin, D. A.; Gubaidullina, D. D.; Fedorov, Yu V.

    2016-01-01

    The general expression of an equilibrium velocity of a sound in vapor-gas-liquid mixtures is presented and influence of concentration of vapor and a volume content of bubbles on the received expression is analyzed. In special cases, for gas-liquid and vapor-liquid mixtures expressions of an equilibrium velocity are presented and the satisfactory consent of the received expressions with known experimental data is discovered.

  19. Delta-Isobar magnetic form factor in QCD

    SciTech Connect

    Belyaev, Vladimir

    1993-01-01

    We consider the QCD sum rules approach for Delta-isobar magnetic form factor in the infra-red region $0isobar magnetic moment.

  20. VAPOR/LIQUID EQUILIBRIA OF CONSTITUENTS FROM COAL GASIFICATION IN REFRIGERATED METHANOL

    EPA Science Inventory

    The report describes a thermodynamic framework, established for the development of a model of the phase equilibria of mixtures of methanol and the major constituents found in gases produced from coal. Two approaches were used to model the equilibrium behavior: (1) an equation of ...

  1. QUANTITY: An Isobaric Tag for Quantitative Glycomics

    PubMed Central

    Yang, Shuang; Wang, Meiyao; Chen, Lijun; Yin, Bojiao; Song, Guoqiang; Turko, Illarion V.; Phinney, Karen W.; Betenbaugh, Michael J.; Zhang, Hui; Li, Shuwei

    2015-01-01

    Glycan is an important class of macromolecules that play numerous biological functions. Quantitative glycomics - analysis of glycans at global level - however, is far behind genomics and proteomics owing to technical challenges associated with their chemical properties and structural complexity. As a result, technologies that can facilitate global glycan analysis are highly sought after. Here, we present QUANTITY (Quaternary Amine Containing Isobaric Tag for Glycan), a quantitative approach that can not only enhance detection of glycans by mass spectrometry, but also allow high-throughput glycomic analysis from multiple biological samples. This robust tool enabled us to accomplish glycomic survey of bioengineered Chinese Hamster Ovary (CHO) cells with knock-in/out enzymes involved in protein glycosylation. Our results demonstrated QUANTITY is an invaluable technique for glycan analysis and bioengineering. PMID:26616285

  2. Isobaric gas counterdiffusion in rabbit eye.

    PubMed

    Cowley, J R; Lambertsen, C J

    1979-07-01

    The superficial isobaric gas counterdiffusion phenomenon, which produces dermal lesions and lethal gas embolism, was investigated at sea level and 2 ATA for effects on the eye of the New Zealand White rabbit. The animals breathed an N2O-O2 mixture by mask and were surrounded by a He environment. There was no gas lesion formation in the conjunctiva or cornea and no gas bubble formation in the anterior compartment of the eye in any of the experimental animals, even at the maximal 8-h exposure. In contrast to the eye, the skin of these animals showed progressive gas-filled lesions after 3 h at 1 ATA. Reasons for the relative insensitivity of the structures of the eye to the counter-diffusion process are discussed. PMID:468664

  3. Middle ear gas exchange in isobaric counterdiffusion.

    PubMed

    Dueker, C W; Lambertsen, C J; Rosowski, J J; Saunders, J C

    1979-12-01

    Nitrous oxide entry into the middle ear gas space was studied in cats in relation to anesthesia and the vestibular dysfunction caused by isobaric inert gas counter-diffusion in diving. A catheter implanted in the auditory bulla was used for direct gas sampling and pressure measurements. Experiments were designed to evaluate the participation of the eustachian tube, mucosal blood vessels, and tympanic membrane in middle ear gas exchange. The eustachian tube did not contribute to N2O entry and the mucosal blood supply only contributed about one-third of the total N2O accumulation. Diffusion across the tympanic membrane accounted for most of the N2O entering the middle ear from ambient and respiratory environments containing N2O. PMID:536296

  4. Isothermal vapor-liquid equilibria of 1-pentanol with 2-methyl-1-butanol, 2-methyl-2-butanol, and 3-methyl-2-butanol

    SciTech Connect

    Aucejo, A.; Burguet, M.C.; Monton, J.B.; Munoz, R.; Sanchotello, M.; Vazquez, M.I. . Dept. de Ingenieria Quimica)

    1994-07-01

    The separation of liquid mixtures through distillation is one of the most common operations in chemical industry, and the efficient design of distillation equipment requires a quantitative knowledge of vapor-liquid equilibria (VLE). Vapor-liquid equilibria were measured for binary systems of 1-pentanol + 2-methyl-1-butanol, + 2-methyl-2-butanol, and + 3-methyl-2-butanol at 373.15 K. The results are thermodynamically consistent according to the point-to-point consistency test, and deviation from ideal behavior is small in all cases.

  5. The system NaCl-H2O: relations of vapor-liquid near the critical temperature of water and of vapor-liquid-halite from 300° to 500°C

    USGS Publications Warehouse

    Bischoff, James L.; Rosenbauer, Robert J.; Pitzer, Kenneth S.

    1986-01-01

    Vapor-liquid relations (P-T-x) for the system NaCl-H2O were determined experimentally at temperatures spanning the critical temperature of water (Tc), the lowest temperature in the system at which critical behavior occurs. In addition, vapor-liquid-halite P-T-x(vapor) relations were determined from 300° to 500°C. Results show that at 373.0°C, immediately below Tc, the vapor side of the isothermal vaporliquid P-x boundary has a shape quite different from that previously conceived. The NaCl content of the vapor increases with pressure in a smooth manner from the pressure of the three-phase assemblage (135 bars, 0.0029% NaCl), to a pressure just below that of the vapor pressure of pure water (0.012% NaCl at 184 bars). Above this pressure the boundary abruptly reverses and projects asymptotically to 0% NaCl in a beak-like shape at 218 bars, the vapor pressure of pure water. At 375.5°, slightly above Tc, the asymptote disappears, and is replaced by a rounded nose. At progressively higher temperatures, the nose disappears and by 380°C the familiar symmetrical bell-shaped curve predominates with the critical point defined by the top of the bell. The P-T curve of the three-phase assemblage determined in the present study is in agreement with previous workers. The NaCl content of the three-phase vapor, however, is much higher than some literature values at temperatures above 410°C.

  6. ``Seedless'' vapor-liquid-solid growth of Si and Ge nanowires: The origin of bimodal diameter distributions

    NASA Astrophysics Data System (ADS)

    Dailey, Eric; Drucker, Jeff

    2009-03-01

    We identify a previously uncharacterized vapor-liquid-solid growth mode that can produce small diameter, epitaxial ⟨110⟩ oriented Si and Ge nanowires (NWs). Disilane or digermane pyrolysis evolves H2 causing the monolayer thick Au/Si(111) layer between three dimensional Au seeds to dewet and form small Au islands. Under some conditions, these small islands facilitate "seedless" growth of small diameter NWs distinct from larger NWs that grow from the deposited seeds leading to a bimodal diameter distribution. We identify the precursor pressures and growth temperature regimes for which Si and Ge NW growth occurs in the absence of deposited seeds from the dewetted Au/Si(111) layer.

  7. Synthesis and characterization of VLS (vapor-liquid-solid) silicon carbide whisker reinforced reaction bonded silicon nitride

    SciTech Connect

    Gac, F.D.

    1989-10-01

    Four different types of vapor-liquid-solid (VLS) SiC whiskers were added to a reaction bonded silicon nitride (RBSN) matrix in levels of 4, 8, and 17 vol%. Each whisker type represented a distinct surface treatment: as-beneficiated, oxidized in air at 1000{degree}C for one hour, carbon coated and boron nitride (BN) coated. The tensile strength of the carbon coated whiskers was not affected by the coating process, whereas the oxidation and BN coating treatments reduced the strengths of the whiskers. A correlation was observed between the mechanical performance of the composites and the degree of degradation experienced by the different whisker types during nitridation of the RBSN matrix composite. 119 refs., 43 figs., 22 tabs.

  8. Structural and electronic properties of InN nanowire network grown by vapor-liquid-solid method

    SciTech Connect

    Barick, B. K. E-mail: subho-dh@yahoo.co.in; Dhar, S. E-mail: subho-dh@yahoo.co.in; Rodríguez-Fernández, Carlos; Cantarero, Andres

    2015-05-15

    Growth of InN nanowires have been carried out on quartz substrates at different temperatures by vapor-liquid-solid (VLS) technique using different thicknesses of Au catalyst layer. It has been found that a narrow window of Au layer thickness and growth temperature leads to multi-nucleation, in which each site acts as the origin of several nanowires. In this multi-nucleation regime, several tens of micrometer long wires with diameter as small as 20 nm are found to grow along [112{sup -}0] direction (a-plane) to form a dense network. Structural and electronic properties of these wires are studied. As grown nanowires show degenerate n-type behavior. Furthermore, x-ray photoemission study reveals an accumulation of electrons on the surface of these nanowires. Interestingly, the wire network shows persistence of photoconductivity for several hours after switching off the photoexcitation.

  9. Isobaric Labeling-Based Relative Quantification in Shotgun Proteomics

    PubMed Central

    2015-01-01

    Mass spectrometry plays a key role in relative quantitative comparisons of proteins in order to understand their functional role in biological systems upon perturbation. In this review, we review studies that examine different aspects of isobaric labeling-based relative quantification for shotgun proteomic analysis. In particular, we focus on different types of isobaric reagents and their reaction chemistry (e.g., amine-, carbonyl-, and sulfhydryl-reactive). Various factors, such as ratio compression, reporter ion dynamic range, and others, cause an underestimation of changes in relative abundance of proteins across samples, undermining the ability of the isobaric labeling approach to be truly quantitative. These factors that affect quantification and the suggested combinations of experimental design and optimal data acquisition methods to increase the precision and accuracy of the measurements will be discussed. Finally, the extended application of isobaric labeling-based approach in hyperplexing strategy, targeted quantification, and phosphopeptide analysis are also examined. PMID:25337643

  10. Isobar excitation in parity-nonconserving proton-proton scattering

    SciTech Connect

    Iqbal, M.J. ); Niskanen, J.A. )

    1994-01-01

    A parity violating (PV) meson exchange model is applied in the coupled channels formalism to study the effect of isobar excitation on PV [ital pp] scattering. The meson-mixing model used to calculate PV forbids the mixing of [ital S]=0 mesons in particular pions, as well as isospin symmetry violation, so only the [ital pa][sub 1] contribution is considered in isobar excitation. We find a significant contribution to [ital [bar A

  11. The ILIAS project for selective isobar suppression by laser photodetachment

    NASA Astrophysics Data System (ADS)

    Forstner, Oliver; Andersson, Pontus; Hanstorp, Dag; Lahner, Johannes; Martschini, Martin; Pitters, Johanna; Priller, Alfred; Steier, Peter; Golser, Robin

    2015-10-01

    Laser photodetachment is the process when the extra electron of a negative ion is removed by means of laser radiation. This can happen only if the photon energy is larger than the electron affinity of the ion. The process can be used in mass spectrometry to selectively suppress unwanted isobars, provided that the electron affinity of the unwanted isobar is lower than that of the isobar under investigation. At the Ion Laser InterAction Setup (ILIAS) at the University of Vienna laser photodetachment of negative atomic and molecular ions is studied and its applicability for selective isobar suppression in accelerator mass spectrometry (AMS) is evaluated. The setup provides mass separated beams of negative ions with energies up to 30 keV. Negative ions are produced in a Middleton type cesium sputter ion source, mass selected and overlapped with a strong continuous wave laser beam. In order to extend the interaction time of ions and laser, the ion beam is decelerated to thermal energies in a gas-filled radio frequency quadrupole cooler. For an appropriate choice of the photon energy, unwanted isobars are neutralized while the isobar of interest is unaffected and remains negatively charged. A description of the ILIAS setup and results from the commissioning phase of the RFQ cooler are presented. Up to 8% ion beam transmission could be achieved after a recent redesign of the extraction system. Furthermore first results of photodetachment experiments of 63Cu- within the RFQ cooler are presented.

  12. Theoretical study of vapor-liquid homogeneous nucleation using stability analysis of a macroscopic phase.

    PubMed

    Carreón-Calderón, Bernardo

    2012-10-14

    Stability analysis is generally used to verify that the solution to phase equilibrium calculations corresponds to a stable state (minimum of the free energy). In this work, tangent plane distance analysis for stability of macroscopic mixtures is also used for analyzing the nucleation process, reconciling thus this analysis with classical nucleation theories. In the context of the revised nucleation theory, the driving force and the nucleation work are expressed as a function of the Lagrange multiplier corresponding to the mole fraction constraint from the minimization problem of stability analysis. Using a van der Waals fluid applied to a ternary mixture, Lagrange multiplier properties are illustrated. In particular, it is shown how the Lagrange multiplier value is equal to one on the binodal and spinodal curves at the same time as the driving force of nucleation vanishes on these curves. Finally, it is shown that, on the spinodal curve, the nucleation work from the revised and generalized nucleation theories are characterized by two different local minima from stability analysis, irrespective of any interfacial tension models. PMID:23061836

  13. Epitaxy-enabled vapor-liquid-solid growth of tin-doped indium oxide nanowires with controlled orientations.

    PubMed

    Shen, Youde; Turner, Stuart; Yang, Ping; Van Tendeloo, Gustaaf; Lebedev, Oleg I; Wu, Tom

    2014-08-13

    Controlling the morphology of nanowires in bottom-up synthesis and assembling them on planar substrates is of tremendous importance for device applications in electronics, photonics, sensing and energy conversion. To date, however, there remain challenges in reliably achieving these goals of orientation-controlled nanowire synthesis and assembly. Here we report that growth of planar, vertical and randomly oriented tin-doped indium oxide (ITO) nanowires can be realized on yttria-stabilized zirconia (YSZ) substrates via the epitaxy-assisted vapor-liquid-solid (VLS) mechanism, by simply regulating the growth conditions, in particular the growth temperature. This robust control on nanowire orientation is facilitated by the small lattice mismatch of 1.6% between ITO and YSZ. Further control of the orientation, symmetry and shape of the nanowires can be achieved by using YSZ substrates with (110) and (111), in addition to (100) surfaces. Based on these insights, we succeed in growing regular arrays of planar ITO nanowires from patterned catalyst nanoparticles. Overall, our discovery of unprecedented orientation control in ITO nanowires advances the general VLS synthesis, providing a robust epitaxy-based approach toward rational synthesis of nanowires. PMID:24971997

  14. Ab initio potential energy surface for methane and carbon dioxide and application to vapor-liquid coexistence

    NASA Astrophysics Data System (ADS)

    Pai, Sung Jin; Bae, Young Chan

    2014-08-01

    A six-dimensional intermolecular potential energy surface for a rigid methane (CH4) and carbon dioxide (CO2) dimer was developed from the counterpoise-corrected supermolecular approach at the CCSD(T) level of theory. A total of 466 grid points distributed to 46 orientations were calculated from the complete basis set limit extrapolation based on up to aug-cc-pVQZ basis set. A modified site-site pair potential function was proposed for rapid representation of the high level ab initio calculations. A nonadditive three-body interaction was represented by the Axilrod-Teller-Muto expression for mixtures with the polarizability and the London dispersion constant of each molecule. Second to fourth virial coefficients of CH4 and CO2 mixtures were calculated using both the Mayer sampling Monte Carlo method and the present potential functions. The virial equation of state derived from these coefficients was used to predict the pVT values and showed good agreement with experimental data below 200 bar at 300 K. The vapor-liquid coexistence curves of pure CH4, CO2 and their mixtures were presented with the aid of Gibbs ensemble Monte Carlo simulations. The predicted tie lines agreed with the experimental data within the uncertainties up to near the critical point.

  15. Vapor-liquid equilibria of copolymer + solvent and homopolymer + solvent binaries: New experimental data and their correlation

    SciTech Connect

    Gupta, R.B.; Prausnitz, J.M.

    1995-07-01

    Sixty-four isothermal data sets for vapor-liquid equilibria (VLE) for polymer + solvent binaries have been obtained using a gravimetric sorption technique, in the range of 23.5--80 C. Solvents studied were acetone, acetonitrile, 1-butanol, 1,2-dichloroethane, chloroform, cyclohexane, hexane, methanol, octane, pentane, and toluene. Copolymers studied were poly(acrylonitrile-co-butadiene), poly(styrene-co-acrylonitrile), poly(styrene-co-butadiene), poly(styrene-co-butyl methacrylate), poly(vinyl acetate-co-ethylene), and poly(vinyl acetate-co-vinyl chloride). All copolymers were random copolymers. Some homopolymers were also studied: polyacrylonitrile, polybutadiene, poly(butyl methacrylate), poly(ethylene oxide), polystyrene, and poly(vinyl acetate). The composition of the copolymer may have a surprising effect on VLE. Normally, deviation from ideal behavior lies between those of the constituent homopolymers, according to the copolymer composition, as observed for cyclohexane + poly(ethylene-co-vinyl acetate) and chloroform + poly(styrene-co-butyl methacrylate). However, the strong nonideal behavior observed for systems containing hydrocarbons and poly(butadiene-co-acrylonitrile) shows that the effect of acrylonitrile is in excess of that expected form the copolymer composition. The perturbed hard-sphere chain (PHSC) equation of state was used to represent VLE of the copolymer solutions studied here.

  16. Group V sensitive vapor-liquid-solid growth of Au-catalyzed and self-catalyzed III-V nanowires

    NASA Astrophysics Data System (ADS)

    Dubrovskii, Vladimir G.

    2016-04-01

    We present a new theoretical model that treats the group V sensitive growth rates and structures of Au-catalyzed and self-catalyzed III-V nanowires within a single kinetic picture. It is shown that Au-catalyzed III-V nanowires can grow with a time-independent radius within a wide range of parameters. At high V/III flux ratios, the vapor-liquid-solid growth of Au catalyzed III-V nanowires is controlled by surface diffusion of the group III adatoms, while at low V/III flux ratios it becomes nucleation-limited. Conversely, self-catalyzed III-V nanowires cannot grow with a time-independent droplet size and instead such nanowires may either swell or shrink or converge to a certain stationary radius depending on the V/III flux ratio. Quite importantly, the results are presented in a concise analytical form which is convenient for comparison with experimental data or prior theoretical works. We demonstrate how the model fits the data obtained previously for Au- and Ga-catalyzed GaAs nanowires.

  17. Toluene Diisocyanate Reactivity with Glutathione Across a Vapor/Liquid Interface and Subsequent Transcarbamoylation of Human Albumin

    PubMed Central

    Wisnewski, Adam V; Hettick, Justin M.; Siegel, Paul D.

    2012-01-01

    Glutathione has previously been identified as a reaction target for toluene diisocyanate (TDI) in vitro and in vivo, and has been suggested to contribute to toxic and allergic reactions to exposure. In this study, the reactivity of reduced glutathione (GSH) with TDI in vitro was further investigated using a mixed phase (vapor/liquid) exposure system to model the in vivo biophysics of exposure in the lower respiratory tract. HPLC/MS/MS was used to characterize the observed reaction products. Under the conditions tested, the major reaction products between TDI vapor and GSH were S-linked bis(GSH)-TDI and to a lesser extent mono(GSH)-TDI conjugates (with one N=C=O hydrolyzed). The vapor phase generated GSH-TDI conjugates were capable of transcarbamoylating human albumin in a pH-dependent manner, resulting in changes in the self-protein’s conformation/charge, based on electrophoretic mobility under native conditions. Specific sites of human albumin-TDI conjugation, mediated by GSH-TDI, were identified (Lys73, Lys159, Lys190, Lys199, Lys212, Lys351, Lys136/137, Lys413/414, Lys524/525) and overlap with those susceptible to direct conjugation by TDI. Together, the data extend proof-of-principle for GSH to act as a “shuttle” for a reactive form of TDI, which could contribute to clinical responses to exposure. PMID:21806041

  18. Essential role of catalysts (Mn, Au, and Sn) in the vapor liquid solid growth kinematics of ZnS nanowires

    SciTech Connect

    Rehman, S.; Shehzad, M. A.; Hafeez, M.; Bhatti, A. S.

    2014-01-14

    In this paper, we demonstrate that surface energy of the catalyst is a vital parameter for the growth rate, self doping of the self assembled nanowires synthesized by employing vapor liquid solid growth technique. The synthesis of ZnS nanowires was done by selectively using three different catalysts (Mn, Au, and Sn), where Au, is the most common catalyst, was used as a reference. The distinctive difference in the growth rate was due to the surface energy of the metal alloy droplet and the interface energies, as explained theoretically using thermodynamic approach. We have found that the activation energy of diffusion of (Zn, S) species in the catalyst droplet was low in Sn (0.41?eV for Zn and 0.13?eV for S) and high in Mn (1.79?eV for Zn and 0.61?eV for S) compared to Au (0.62?eV for Zn and 0.21?eV for S) catalyzed ZnS nanostructures. The thermodynamic calculations predicted the growth rates of Sn (7.5?nm/s) catalyzed nanowires was faster than Au (5.1?nm/s) and Mn (4.6?nm/s) catalyzed ZnS nanostructures, which were in agreement with the experimental results. Finally, the location of the catalyst as dopant in the grown nanostructure was predicted and compared with experimental observations.

  19. Vapor-liquid activity coefficients for methanol and ethanol from heat of solution data: application to steam-methane reforming.

    PubMed

    Kunz, R G; Baade, W F

    2001-11-16

    This paper presents equations and curves to calculate vapor-liquid phase equilibria for methanol and ethanol in dilute aqueous solution as a function of temperature, using activity coefficients at infinite dilution. These thermodynamic functions were originally derived to assess the distribution of by-product contaminants in the process condensate and the steam-system deaerator of a hydrogen plant [Paper ENV-00-171 presented at the NPRA 2000 Environmental Conference, San Antonio, TX, 10-12 September 2000], but have general applicability to other systems as well. The functions and calculation method described here are a necessary piece of an overall prediction technique to estimate atmospheric emissions from the deaerator-vent when the process condensate is recycled as boiler feed water (BFW) make-up. Having such an estimation technique is of particular significance at this time because deaerator-vent emissions are already coming under regulatory scrutiny in California [Emissions from Hydrogen Plant Process Vents, Adopted 21 January 2000] followed closely elsewhere in the US, and eventually worldwide. The overall technique will enable a permit applicant to estimate environmental emissions to comply with upcoming regulations, and a regulatory agency to evaluate those estimates. It may also be useful to process engineers as a tool to estimate contaminant concentrations and flow rates in internal process streams such as the steam-generating system. Metallurgists and corrosion engineers might be able to use the results for materials selection. PMID:11606240

  20. Effects of an applied electric field on the vapor-liquid equilibria of water, methanol, and dimethyl ether.

    PubMed

    Maerzke, Katie A; Siepmann, J Ilja

    2010-04-01

    Gibbs ensemble Monte Carlo simulations are employed to examine the influence of moderately strong electric fields on the vapor-liquid coexistence curves and on structural and energetic properties of the saturated phases of water, methanol, and dimethyl ether. The application of an electric field of 0.1 V/A increases the critical temperature and normal boiling point by approximately 3% compared to the zero field case for all three compounds, whereas the critical density is found to decrease by 1% for methanol and dimethly ether and by 3% for water. For the special case of an electric field applied in only the liquid phase, these effects are magnified with a 4% increase in T(C) and a 13% decrease in rho(C). For the case of an electric field in only the vapor phase, the opposite effect is seen with a 4% decrease in T(C) and a 12% increase in rho(C). Structural analysis shows very little change in the radial distribution functions, but greatly increased orientational ordering with the application of an electric field. The orientational ordering effect is stronger in the liquid phase than in the vapor phase. An examination of the energetics reveals that, in the presence of an electric field, the interactions with the first and second solvation shells become less favorable but these are outweighed by a larger increase in the favorable long-range interactions with more distant molecules and the field. PMID:20201507

  1. Isobar giant resonance formation in self-conjugate nuclei

    NASA Astrophysics Data System (ADS)

    Townsend, L. W.; Deutchman, P. A.

    1981-03-01

    The production of isobars with concomitant giant resonance excitations due to peripheral collisions of relativistic heavy ions is investigated. The interaction is described by a modified form of the central term in the one-pion-exchange potential (OPEP) where the projectile ordinary spin operator is replaced by a transition spin operator which describes the creation of an isobar from a nucleon. The scattering is analyzed using time-dependent harmonic perturbation theory to determine the reaction total cross sections. The results obtained, which are valid for reactions involving self-conjugate nuclei, are applied to the specific collison of 2.1 {GeV}/{nucleon}16O projectiles with 12C targets at rest. Cross sections are investigated using two different models for the nuclear spin states. In the first model, the many-body nuclear spin state is reduced, in the spirit of a particle-hole state, to an equivalent two-body state called a particle-core state. In the second model, the many-body spin states are described by unsymmetrized products of individual particle spins. Properties of the spin giant resonance and isobar giant resonance states are investigated. Finally, isobar decay and isobar/pion absorption effects are discussed.

  2. Vapor-liquid partitioning of alkaline earth and transition metals in NaCl-dominated hydrothermal fluids: An experimental study from 360 to 465 °C, near-critical to halite saturated conditions

    NASA Astrophysics Data System (ADS)

    Pester, Nicholas J.; Ding, Kang; Seyfried, William E.

    2015-11-01

    Multi-phase fluid flow is a common occurrence in magmatic hydrothermal systems; and extensive modeling efforts using currently established P-V-T-x properties of the NaCl-H2O system are impending. We have therefore performed hydrothermal flow experiments (360-465 °C) to observe vapor-liquid partitioning of alkaline earth and first row transition metals in NaCl-dominated source solutions. The data allow extraction of partition coefficients related to the intrinsic changes in both chlorinity and density along the two-phase solvus. The coefficients yield an overall decrease in vapor affinity in the order Cu(I) > Na > Fe(II) > Zn > Ni(II) ⩾ Mg ⩾ Mn(II) > Co(II) > Ca > Sr > Ba, distinguished with 95% confidence for vapor densities greater than ∼0.2 g/cm3. The alkaline earth metals are limited to purely electrostatic interactions with Cl ligands, resulting in an excellent linear correlation (R2 > 0.99) between their partition coefficients and respective ionic radii. Though broadly consistent with this relationship, relative behavior of the transition metals is not well resolved, being likely obscured by complex bonding processes and the potential participation of Na in the formation of tetra-chloro species. At lower densities (at/near halite saturation) partitioning behavior of all metals becomes highly non-linear, where M/Cl ratios in the vapor begin to increase despite continued decreases in chlorinity and density. We refer to this phenomenon as "volatility", which is broadly associated with substantial increases in the HCl/NaCl ratio (eventually to >1) due to hydrolysis of NaCl. Some transition metals (e.g., Fe, Zn) exhibit volatility prior to halite stability, suggesting a potential shift in vapor speciation relative to nearer critical regions of the vapor-liquid solvus. The chemistry of deep-sea hydrothermal fluids appears affected by this process during magmatic events, however, our results do not support suggestions of subseafloor halite precipitation recorded in currently available field data. Ca-Cl systematics in vent fluids are specifically explored, revealing behavior consistent with partitioning due to phase separation. Interestingly, the effect of variable chloride on dissolved Na/Ca ratios associated with plagioclase solubility (in single-phase solutions) appears fundamentally similar to that of phase separation on vapor compositions such that vapors evolved in hydrothermal systems may naturally remain near equilibrium with the host lithology. Conversely, residual liquids/brines left behind in the crust may be undersaturated with metals, enhancing the rate and extent of hydrothermal alteration.

  3. Study of the Vapor-Liquid Coexistence Curve and the Critical Curve for Nonazeotropic Refrigerant Mixture R152a + R114 System

    NASA Astrophysics Data System (ADS)

    Kabata, Yasuo; Higashi, Yukihiro; Uematsu, Masahiko; Watanabe, Koichi

    Measurements of the vapor-liquid coexistence curve in the critical region for the refrigerant mixture of R152a (CH3CHF2: 1, l-difluoroethane) +R 114 (CCIF2CCIF2 :1, 2-dichloro-1, 1, 2, 2-tetrafluoroethane) system were made by visual observation of the disappearance of the meniscus at the vapor-liquid interface within an optical cell. Forty-eight saturated densities along the vapor-liquid coexistence curve between 204 and 861 kg·m-3 for five different compositions of 10, 20, 50, 80 and 90 wt% R 152a were obtained in the temperature range 370 to 409 K. The experimental errors of temperature, density, and mass fraction were estimated within ±10mK, ±0.5% and +0.05 %, respectively. On the basis of these measurements, the critical parameters of five different compositions for the R 152a +R 114 system were determined in consideration of the meniscus disappearance level as well as intensity of the critical opalescence. In accordance with the previous results of three other refrigerant mixtures, i.e., R 12 +R 22 system, R 22 +R 114 system and R 13B1 + R 114 system, the coexistence curve and critical curve on the temperature-density diagram for binary refrigerant mixtures were discussed. In addition, correlations of its composition dependence for this system were proposed.

  4. Peptide Labeling Using Isobaric Tagging Reagents for Quantitative Phosphoproteomics.

    PubMed

    Cheng, Lei; Pisitkun, Trairak; Knepper, Mark A; Hoffert, Jason D

    2016-01-01

    Isobaric tagging reagents have become an invaluable tool for multiplexed quantitative proteomic analysis. These reagents can label multiple, distinct peptide samples from virtually any source material (e.g., tissue, cell line, purified proteins), allowing users the opportunity to assess changes in peptide abundances across many different time points or experimental conditions. Here, we describe the application of isobaric peptide labeling, specifically 8plex isobaric tags for relative and absolute quantitation (8plex iTRAQ), for quantitative phosphoproteomic analysis of cultured cells or tissue suspensions. For this particular protocol, labeled samples are pooled, fractionated by strong cation exchange chromatography, enriched for phosphopeptides, and analyzed by tandem mass spectrometry (LC-MS/MS) for both peptide identification and quantitation. PMID:26584918

  5. A systematic study of the nitridation of SnO 2 nanowires grown by the vapor liquid solid mechanism

    NASA Astrophysics Data System (ADS)

    Zervos, Matthew; Othonos, Andreas

    2012-02-01

    SnO 2 nanowires (NWs) with diameters of 50 nm and lengths ≥10 μm have been grown at 800 °C on 1.0 nm Au/Si(001) via the vapor liquid solid mechanism and the low pressure chemical vapor deposition. These exhibited clear peaks in the X-ray diffraction corresponding to the tetragonal rutile crystal structure of SnO 2 and a broad-symmetric photoluminescence (PL) spectrum, centered around 560 nm due to structural-related defect states, energetically located in the upper half-band-gap of SnO 2. We find that post-growth thermal annealing of the SnO 2 NWs over a broad range of temperatures, i.e. 400-1000 °C and high flow of O 2 does not change their crystal structure or optical properties. In contrast the nitridation of SnO 2 NWs using NH 3 leads to their elimination above 500 °C. Lower temperatures did not favor the nitridation even using extended nitridation times, hydrogen, lower ramp rates or a two-step-temperature process which are effective in the case of In 2O 3 and Ga 2O 3. However the nitridation of SnO 2 NWs was promoted by HCl, supplied in-situ via the sublimation of NH 4Cl, which reacts with Sn and SnO 2 leading to the formation of the intermediate SnCl 4, which reacts in turn with NH 3 giving tin nitride at temperatures between 400 and 500 °C . We discuss the effect of the nitridation and thermal annealing on the PL spectra.

  6. Removal of the samarium isobaric interference from promethium mass analysis

    SciTech Connect

    Shaw, R.W.; Young, J.P.; Smith, D.H.

    1988-02-01

    Resonance ionization mass spectroscopy (RIMS) is used to eliminate isobaric interference when determining the isotopic abundances of an element. In this application, RIMS is applied to the determination of promethium with the removal of samarium interference. In particular, promethium-147 is separated form samarium-147 and samarium-152.

  7. Isobaric yield ratio difference and Shannon information entropy

    NASA Astrophysics Data System (ADS)

    Ma, Chun-Wang; Wei, Hui-Ling; Wang, Shan-Shan; Ma, Yu-Gang; Wada, Ryoichi; Zhang, Yan-Li

    2015-03-01

    The Shannon information entropy theory is used to explain the recently proposed isobaric yield ratio difference (IBD) probe which aims to determine the nuclear symmetry energy. Theoretically, the difference between the Shannon uncertainties carried by isobars in two different reactions (ΔIn21), is found to be equivalent to the difference between the chemical potentials of protons and neutrons of the reactions [the IBD probe, IB- Δ(βμ)21, with β the reverse temperature]. From the viewpoints of Shannon information entropy, the physical meaning of the above chemical potential difference is interpreted by ΔIn21 as denoting the nuclear symmetry energy or density difference between neutrons and protons in reactions more concisely than from the statistical ablation-abrasion model.

  8. Sampling the isothermal-isobaric ensemble by Langevin dynamics

    NASA Astrophysics Data System (ADS)

    Gao, Xingyu; Fang, Jun; Wang, Han

    2016-03-01

    We present a new method of conducting fully flexible-cell molecular dynamics simulation in isothermal-isobaric ensemble based on Langevin equations of motion. The stochastic coupling to all particle and cell degrees of freedoms is introduced in a correct way, in the sense that the stationary configurational distribution is proved to be consistent with that of the isothermal-isobaric ensemble. In order to apply the proposed method in computer simulations, a second order symmetric numerical integration scheme is developed by Trotter's splitting of the single-step propagator. Moreover, a practical guide of choosing working parameters is suggested for user specified thermo- and baro-coupling time scales. The method and software implementation are carefully validated by a numerical example.

  9. Sampling the isothermal-isobaric ensemble by Langevin dynamics.

    PubMed

    Gao, Xingyu; Fang, Jun; Wang, Han

    2016-03-28

    We present a new method of conducting fully flexible-cell molecular dynamics simulation in isothermal-isobaric ensemble based on Langevin equations of motion. The stochastic coupling to all particle and cell degrees of freedoms is introduced in a correct way, in the sense that the stationary configurational distribution is proved to be consistent with that of the isothermal-isobaric ensemble. In order to apply the proposed method in computer simulations, a second order symmetric numerical integration scheme is developed by Trotter's splitting of the single-step propagator. Moreover, a practical guide of choosing working parameters is suggested for user specified thermo- and baro-coupling time scales. The method and software implementation are carefully validated by a numerical example. PMID:27036433

  10. Multiple energy loss technique and isobar separation in LOREX experiment

    SciTech Connect

    Novkovic, D.; Subotic, K.; Pavicevic, M.

    1994-12-31

    Lorex experiment provides the method for solar neutrino flux measurement on the basis of the {sup 205}Tl({nu},e{sup {minus}}){sup 205}Pb reaction in the lorandite mineral samples from Allchar, using AMS techniques. Multiple energy loss technique is relevant for identification of {sup 205}Pb ions and long living {sup 10}Be, {sup 26}Al, {sup 36}Cl and {sup 53}Mn nuclei in geological samples prepared from Iorandite and monitoring minerals such as realgar and marcasite. The results of the study of the effective charge distributions and differences in isobar energy losses as well as their comparison with energy-loss straggling in the gases relevant for isobar separation are reported.

  11. Reference pressure changes and available potential energy in isobaric coordinates

    NASA Technical Reports Server (NTRS)

    Robertson, F. R.

    1985-01-01

    A formulation of the available potential energy (APE) equation in isobaric coordinates which alleviates the need for computing temporal derivatives of reference pressure and describes how work done relates to changes in the APE of a limited region is presented. The APE budget equation possesses terms analogous to those in Johnson's (1970) isentropic version. It is shown that APE changes result from either mechanical work inside the domain or an exchange of energy via boundary processes with the surrounding environment.

  12. Controlling Axial p-n Heterojunction Abruptness Through Catalyst Alloying in Vapor-Liquid-Solid Grown Semiconductor Nanowires

    SciTech Connect

    Perea, Daniel E.; Schreiber, Daniel K.; Devaraj, Arun; Thevuthasan, Suntharampillai; Yoo, Jinkyoung; Dayeh, Shadi A.; Picraux, Samuel T.

    2012-07-30

    The p-n junction can be regarded as the most important electronic structure that is responsible for the ubiquity of semiconductor microelectronics today. Efforts to continually scale down the size of electronic components is guiding research to explore the use of nanomaterials synthesized from a bottom-up approach - group-IV semiconductor nanowires being one such material. However, Au-catalyzed synthesis of Si/Si1-x-Gex semiconductor nanowire heterojunctions using the commonly-used vapor-liquid-solid (VLS) growth technique results in diffuse heterojunction interfaces [1], leading to doubts of producing compositionally-sharp p-n junctions using this approach. However, we have recently reported the ability to increase Ge-Si nanowire heterojunction abruptness by VLS synthesis from a Au(1-x)Ga(x) catalyst alloy as shown by EDX analysis in an SEM [2]. In this work, we have extended the use of a AuGa catalyst alloy to produce more compositionally abrupt p-n junction interfaces compared to using pure Au as directly measured by atom probe tomography. As shown in Figure 1(a-b), individual Ge-Si heterostructured nanowires were grown vertically atop Ge(111) microposts. Direct growth on the microposts provides a facile approach to nanowire analysis which circumvents the need to use FIB-based sample preparation techniques. Both nanowires grown from pure Au and a AuGa catalyst alloy were analyzed. The corresponding 3D APT reconstruction of an individual heterostructured nanowire is shown in Figure 1(c) with the corresponding materials labeled. A 1-dimensional composition profile along the analysis direction in Figure 1(d) confirms an increase in heterojunction abruptness for nanowires grown from AuGa (~10nm) compared to nanowires grown from pure Au (~65nm). Analysis of the P distribution within the Si region (Figure 1(e)) indicates that P reaches a constant distribution over approximately 10nm when incorporated through the AuGa catalyst, whereas it continually increases over 100’s of nanometers when incorporated through pure Au. The apparent lower overall P concentration within the nanowire grown from the AuGa alloy suggests that the solubility of P in the alloy is lower compared to pure Au. The ability to controllably increase nanowire p-n junction abruptness is important for nanowire applications as solar cells and tunneling field effect transistors where an increase in device performance is expected from shaper p-n junction interfaces. [1] T.E. Clark et al., Nano Lett. 8 (2008) 1246. [2] D.E. Perea et al., Nano Lett. 11 (2011) 3117. [3] The research was supported through the user program at both the Center for Integrated Nanotechnologies at Los Alamos National Laboratory and the Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory.

  13. Molecular Simulations of the Vapor-Liquid Phase Interfaces of Pure Water Modeled with the SPC/E and the TIP4P/2005 Molecular Models

    NASA Astrophysics Data System (ADS)

    Vinš, Václav; Celný, David; Planková, Barbora; Němec, Tomáš; Duška, Michal; Hrubý, Jan

    2016-03-01

    In our previous study [Planková et al., EPJWeb. Conf. 92, 02071 (2015)], several molecular simulations of vapor-liquid phase interfaces for pure water were performed using the DL_POLY Classic software. The TIP4P/2005 molecular model was successfully used for the modeling of the density profile and the thickness of phase interfaces together with the temperature dependence of the surface tension. In the current study, the extended simple point charge (SPC/E) model for water was employed for the investigation of vapor-liquid phase interfaces over a wide temperature range from 250 K to 600 K. The TIP4P/2005 model was also used with the temperature step of 25 K to obtain more consistent data compared to our previous study. Results of the new simulations are in a good agreement with most of the literature data. TIP4P/2005 provides better results for the saturated liquid density with its maximum close to 275 K, while SPC/E predicts slightly better saturated vapor density. Both models give qualitatively correct representation for the surface tension of water. The maximum absolute deviation from the IAPWS standard for the surface tension of ordinary water is 10.4 mN · m-1 and 4.1 mN · m-1 over the temperature range from 275 K to 600 K in case of SPC/E and TIP4P/2005, respectively.

  14. Measurements of the vapor-liquid coexistence curve in the critical region and the critical parameters of 1,1,2,2,-tetrafluoroethane

    SciTech Connect

    Tatoh, Jun; Kuwabara, Shigeo; Sata, Haruki; Watanabe, Koichi . Dept. of Mechanical Engineering)

    1993-01-01

    The vapor-liquid coexistence curve in the critical region of 1,1,2,2-tetrafluoroethane (HFC-134) was measured by a visual observation of the meniscus in an optical cell. Eighteen saturated liquid densities and 10 saturated vapor densities have been obtained in a temperature range from 364 K to the critical temperature, corresponding to a density range from 243 to 1001 kg/m[sup 3]. The experimental uncertainties of temperature and density measurements are estimated to be within [plus minus]10 mK and between [plus minus]0.11% and [plus minus]0.44%, respectively. Not only the level where the meniscus disappeared but also the intensity of the critical opalescence was considered in the determination of the critical temperature and density being 391.74 [plus minus] 0.02 K (ITS-90) and 536 [plus minus] 2 kg/m[sup 3], respectively. The critical exponent of the power law, [beta], was also determined as 0.347 [plus minus] 0.002. A saturated vapor-liquid density correlation has been developed on the basis of the present measurements.

  15. Vapor-liquid critical surface of ternary difluoromethane + pentafluoroethane + 1,1,1,2-tetrafluoroethane (R-32/125/134a) mixtures

    SciTech Connect

    Higashi, Y.

    1999-09-01

    The plane of vapor-liquid criticality for ternary refrigerant mixtures of difluoromethane (R-32) + pentafluoroethane (R-125) + 1,1,1,2-tetrafluoroethane (R-134a) was determined from data on the vapor-liquid coexistence curve near the mixture critical points. The composition (mass percentage) of the mixtures studied were 23% R-32 + 25% R-125 + 52% R-134a (R-407C). 25% R-32 + 15% R-125 + 60% R-134a (R-407E), and 20% R-32 + 40% R-125 + 40% R-134a (R-407A). The critical temperature of each mixture was determined by observation of the disappearance of the meniscus. The critical density of each mixture was determined on the basis of meniscus disappearance level and the intensity of the critical opalescence. The uncertainties of the temperature, density, and composition measurements are estimated as {+-}10mK, {+-}5kg{center_dot}m{sup {minus}3}, and {+-}0.05%, respectively. In addition, predictive methods for the critical parameters of R-32/125/134a mixtures are discussed.

  16. To Polarize or Not to Polarize? Charge-on-Spring versus KBFF Models for Water and Methanol Bulk and Vapor-Liquid Interfacial Mixtures.

    PubMed

    Ploetz, Elizabeth A; Rustenburg, Ariën S; Geerke, Daan P; Smith, Paul E

    2016-05-10

    Simulations of water and methanol mixtures using polarizable force fields (FFs) for methanol (COS/M and CPC) and water (COS/G2) were performed and compared to experiment and also to a nonpolarizable methanol (KBFF) model with SPC/E water in an effort to quantify the importance of explicit electronic polarization effects in bulk liquid mixtures and vapor-liquid interfaces. The bulk liquid mixture properties studied included the center of mass radial distribution functions, Kirkwood-Buff integrals (KBIs), volumetric properties, isothermal compressibility, enthalpy of mixing, dielectric constant, and diffusion coefficients. The vapor-liquid interface properties investigated included the relative surface probability distributions, surface tension, excess surface adsorption, preferred surface molecule orientations, and the surface dipole. None of the three FFs tested here was clearly superior for all of the properties examined. All the force fields typically reproduced the correct trends with composition for both the bulk and interfacial system properties; the differences between the force fields were primarily quantitative. The overall results suggest that the polarizable FFs are not, at the present stage of development, inherently better able to reproduce the studied bulk and interfacial properties-despite the added degree of explicit transferability that is, by definition, built into the polarizable models. Indeed, the specific parametrization of the FF appears to be just as important as the class of FF. PMID:27045390

  17. Volume crossover in deeply supercooled water adiabatically freezing under isobaric conditions.

    PubMed

    Aliotta, Francesco; Giaquinta, Paolo V; Pochylski, Mikolaj; Ponterio, Rosina C; Prestipino, Santi; Saija, Franz; Vasi, Cirino

    2013-05-14

    The irreversible return of a supercooled liquid to stable thermodynamic equilibrium often begins as a fast process which adiabatically drives the system to solid-liquid coexistence. Only at a later stage will solidification proceed with the expected exchange of thermal energy with the external bath. In this paper we discuss some aspects of the adiabatic freezing of metastable water at constant pressure. In particular, we investigated the thermal behavior of the isobaric gap between the molar volume of supercooled water and that of the warmer ice-water mixture which eventually forms at equilibrium. The available experimental data at ambient pressure, extrapolated into the metastable region within the scheme provided by the reference IAPWS-95 formulation, show that water ordinarily expands upon (partially) freezing under isenthalpic conditions. However, the same scheme also suggests that, for increasing undercoolings, the volume gap is gradually reduced and eventually vanishes at a temperature close to the currently estimated homogeneous ice nucleation temperature. This behavior is contrasted with that of substances which do not display a volumetric anomaly. The effect of increasing pressures on the alleged volume crossover from an expanded to a contracted ice-water mixture is also discussed. PMID:23676053

  18. Volume crossover in deeply supercooled water adiabatically freezing under isobaric conditions

    NASA Astrophysics Data System (ADS)

    Aliotta, Francesco; Giaquinta, Paolo V.; Pochylski, Mikolaj; Ponterio, Rosina C.; Prestipino, Santi; Saija, Franz; Vasi, Cirino

    2013-05-01

    The irreversible return of a supercooled liquid to stable thermodynamic equilibrium often begins as a fast process which adiabatically drives the system to solid-liquid coexistence. Only at a later stage will solidification proceed with the expected exchange of thermal energy with the external bath. In this paper we discuss some aspects of the adiabatic freezing of metastable water at constant pressure. In particular, we investigated the thermal behavior of the isobaric gap between the molar volume of supercooled water and that of the warmer ice-water mixture which eventually forms at equilibrium. The available experimental data at ambient pressure, extrapolated into the metastable region within the scheme provided by the reference IAPWS-95 formulation, show that water ordinarily expands upon (partially) freezing under isenthalpic conditions. However, the same scheme also suggests that, for increasing undercoolings, the volume gap is gradually reduced and eventually vanishes at a temperature close to the currently estimated homogeneous ice nucleation temperature. This behavior is contrasted with that of substances which do not display a volumetric anomaly. The effect of increasing pressures on the alleged volume crossover from an expanded to a contracted ice-water mixture is also discussed.

  19. Partition Equilibrium

    NASA Astrophysics Data System (ADS)

    Feldman, Michal; Tennenholtz, Moshe

    We introduce partition equilibrium and study its existence in resource selection games (RSG). In partition equilibrium the agents are partitioned into coalitions, and only deviations by the prescribed coalitions are considered. This is in difference to the classical concept of strong equilibrium according to which any subset of the agents may deviate. In resource selection games, each agent selects a resource from a set of resources, and its payoff is an increasing (or non-decreasing) function of the number of agents selecting its resource. While it has been shown that strong equilibrium exists in resource selection games, these games do not possess super-strong equilibrium, in which a fruitful deviation benefits at least one deviator without hurting any other deviator, even in the case of two identical resources with increasing cost functions. Similarly, strong equilibrium does not exist for that restricted two identical resources setting when the game is played repeatedly. We prove that for any given partition there exists a super-strong equilibrium for resource selection games of identical resources with increasing cost functions; we also show similar existence results for a variety of other classes of resource selection games. For the case of repeated games we identify partitions that guarantee the existence of strong equilibrium. Together, our work introduces a natural concept, which turns out to lead to positive and applicable results in one of the basic domains studied in the literature.

  20. Vapor-liquid phase equilibria of potassium chloride-water mixtures: Equation-of-state representation for KCl-H2O and NaCl-H2O

    USGS Publications Warehouse

    Hovey, J.K.; Pitzer, Kenneth S.; Tanger, J.C., IV; Bischoff, J.L.; Rosenbauer, R.J.

    1990-01-01

    Measurements of isothermal vapor-liquid compositions for KCl-H2O as a function of pressure are reported. An equation of state, which was originally proposed by Pitzer and was improved and used by Tanger and Pitzer to fit the vapor-liquid coexistence surface for NaCl-H2O, has been used for representation of the KCl-H2O system from 300 to 410??C. Improved parameters are also reported for NaCl-H2O from 300 to 500??C. ?? 1990 American Chemical Society.

  1. Laser ion source for isobaric heavy ion collider experiment

    NASA Astrophysics Data System (ADS)

    Kanesue, T.; Kumaki, M.; Ikeda, S.; Okamura, M.

    2016-02-01

    Heavy-ion collider experiment in isobaric system is under investigation at Relativistic Heavy Ion Collider. For this experiment, ion source is required to maximize the abundance of the intended isotope. The candidate of the experiment is 96Ru + 96Zr. Since the natural abundance of particular isotope is low and composition of isotope from ion source depends on the composites of the target, an isotope enriched material may be needed as a target. We studied the performance of the laser ion source required for the experiment for Zr ions.

  2. Ultrastructure of the rat hippocampus after isobaric respirative hyperoxia.

    PubMed

    Manthos, A; Tsolaki, M; Kaidoglou, K; Alvanou, A; Hatjinikolaou, K; Hatjiagorakis, A; Giala, M; Foroglou, C

    1991-01-01

    After exposing rats to an environment of isobaric hyperoxia, the ultrastructural alterations of the hippocampus were studied. No major alterations were found in the nerve cells. Of importance was the moderate osmiophilia and the spindle-like transformation of the mitochondria. Vacuolated synapses and neuraxons were found, containing amorphous material. Astrocytic perivascular end feet were found vacuolated in many places. Many endothelial cells of the capillaries presented high osmiophilia, which sometimes prevented structural details. Quantitatively, the findings were proportionally related to the time of exposure in the pure oxygen atmosphere (24, 48 and 65 hours). PMID:1806057

  3. Remote sensing of atmospheric water vapor, liquid water and wind speed at the ocean surface by passive microwave techniques from the Nimbus-5 satellite

    NASA Technical Reports Server (NTRS)

    Chang, A. T. C.; Wilheit, T. T.

    1977-01-01

    The microwave brightness temperature measurements for Nimbus-5 electrically scanned microwave radiometer and Nimbus E microwave spectrometer are used to retrieve the atmospheric water vapor, liquid water and wind speed by a quasi-statistical retrieval technique. It is shown that the brightness temperature can be utilized to yield these parameters under various weather conditions. Observations at 19.35 GHz, 22.235 GHz and 31.4 GHz were input to the regression equations. The retrieved values of these parameters for portions of two Nimbus-5 orbits are presented. Then comparison between the retrieved parameters and the available observations on the total water vapor content and the surface wind speed are made. The estimated errors for retrieval are approximately 0.15 g/sq cm for water vapor content, 6.5 mg/sq cm for liquid water content and 6.6 m/sec for surface wind speed.

  4. Remote sensing of atmospheric water vapor, liquid water, and wind speed at the ocean surface by passive microwave techniques from the Nimbus 5 satellite

    NASA Technical Reports Server (NTRS)

    Chang, A. T. C.; Wilheit, T. T.

    1979-01-01

    The microwave brightness temperature measurements for Nimbus 5 electrically scanned microwave radiometer (ESMR) and Nimbus-E microwave spectrometer (NEMS) are used to retrieve the atmospheric water vapor, liquid water, and wind speed by a quasi-statistical retrieval technique. It is shown that the brightness temperature can be utilized to yield these parameters under various weather conditions. Observations at 19.35, 22.235, and 31.4 GHz were input to the regression equations. The retrieved values of these parameters for portions of two Nimbus 5 orbits are presented. Then comparison between the retrieved parameters and the available observations on the total water vapor content and the surface wind speed are made.

  5. Heat pipes for spacecraft temperature control: An assessment of the state-of-the-art. [gas, vapor, liquid, and voltage control

    NASA Technical Reports Server (NTRS)

    Groll, M.; Kirkpatrick, J. P.

    1976-01-01

    Spacecraft applications that require the efficient cooling of high-powered components, the precise temperature control of sensitive electronic and optical components, and the protection of cooled components from temporary, adverse environmental conditions are increasing. Heat pipes using gas, vapor, liquid, or voltage control to provide variable conductance or diode thermal behavior have been and are continuing to be developed to meet increasingly difficult requirements. The various control techniques are critically evaluated using characteristic features and properties, including heat transport capability, volume and mass requirements, complexity and ease of fabrication, reliability, and control characteristics. As a result, advantages and disadvantages of specific approaches are derived and discussed. Using four development levels, the state-of-the-art of the various heat pipe temperature control techniques is assessed.

  6. Vertically aligned silicon microwire arrays of various lengths by repeated selective vapor-liquid-solid growth of n-type silicon/n-type silicon

    NASA Astrophysics Data System (ADS)

    Ikedo, Akihito; Kawashima, Takahiro; Kawano, Takeshi; Ishida, Makoto

    2009-07-01

    Repeated vapor-liquid-solid (VLS) growth with Au and PH3-Si2H6 mixture gas as the growth catalyst and silicon source, respectively, was used to construct n-type silicon/n-type silicon wire arrays of various lengths. Silicon wires of various lengths within an array could be grown by employing second growth over the first VLS grown wire. Additionally, the junction at the interface between the first and the second wires were examined. Current-voltage measurements of the wires exhibited linear behavior with a resistance of 850 Ω, confirming nonelectrical barriers at the junction, while bending tests indicated that the mechanical properties of the wire did not change.

  7. Vapor-liquid Equilibria and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-spring versus Dipole Self-consistent Field approaches to induced polarization

    SciTech Connect

    Chialvo, Ariel A; Moucka, Filip; Vlcek, Lukas; Nezbeda, Ivo

    2015-01-01

    We implemented the Gaussian charge-on-spring (GCOS) version of the original self-consistent field implementation of the Gaussian Charge Polarizable water model and test its accuracy to represent the polarization behavior of the original model involving smeared charges and induced dipole moments. For that purpose we adapted the recently developed multiple-particle-move (MPM) within the Gibbs and isochoric-isothermal ensembles Monte Carlo methods for the efficient simulation of polarizable fluids. We assessed the accuracy of the GCOS representation by a direct comparison of the resulting vapor-liquid phase envelope, microstructure, and relevant microscopic descriptors of water polarization along the orthobaric curve against the corresponding quantities from the actual GCP water model.

  8. Vapor-liquid Equilibria and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-spring versus Dipole Self-consistent Field approaches to induced polarization

    DOE PAGESBeta

    Chialvo, Ariel A; Moucka, Filip; Vlcek, Lukas; Nezbeda, Ivo

    2015-01-01

    We implemented the Gaussian charge-on-spring (GCOS) version of the original self-consistent field implementation of the Gaussian Charge Polarizable water model and test its accuracy to represent the polarization behavior of the original model involving smeared charges and induced dipole moments. For that purpose we adapted the recently developed multiple-particle-move (MPM) within the Gibbs and isochoric-isothermal ensembles Monte Carlo methods for the efficient simulation of polarizable fluids. We assessed the accuracy of the GCOS representation by a direct comparison of the resulting vapor-liquid phase envelope, microstructure, and relevant microscopic descriptors of water polarization along the orthobaric curve against the corresponding quantitiesmore » from the actual GCP water model.« less

  9. An objective isobaric/isentropic technique for upper air analysis

    NASA Technical Reports Server (NTRS)

    Mancuso, R. L.; Endlich, R. M.; Ehernberger, L. J.

    1981-01-01

    An objective meteorological analysis technique is presented whereby both horizontal and vertical upper air analyses are performed. The process used to interpolate grid-point values from the upper-air station data is the same as for grid points on both an isobaric surface and a vertical cross-sectional plane. The nearby data surrounding each grid point are used in the interpolation by means of an anisotropic weighting scheme, which is described. The interpolation for a grid-point potential temperature is performed isobarically; whereas wind, mixing-ratio, and pressure height values are interpolated from data that lie on the isentropic surface that passes through the grid point. Two versions (A and B) of the technique are evaluated by qualitatively comparing computer analyses with subjective handdrawn analyses. The objective products of version A generally have fair correspondence with the subjective analyses and with the station data, and depicted the structure of the upper fronts, tropopauses, and jet streams fairly well. The version B objective products correspond more closely to the subjective analyses, and show the same strong gradients across the upper front with only minor smoothing.

  10. Isobaric (gasless) laparoscopic liver and kidney biopsy in standing steers

    PubMed Central

    Chiesa, O. Alberto; von Bredow, Jurgen; Li, Hui; Smith, Michelle

    2009-01-01

    The purpose of the current study was to investigate the suitability of an isobaric laparoscopic procedure, using a single port, for obtaining serial kidney and liver biopsy samples from standing steers. The samples were used in support of a pharmacokinetic tissue–fluid correlation study. Laparoscopic access was performed 3 times in each of 8 healthy Holstein steers, alternating from the right side to the left side and then to the right side again. The surgery was performed in standing stocks after the animals were given 3 doses of sulfadimethoxine sulfate intravenously and fasted for at least 18 h. Sedation and analgesia were achieved with acepromazine and xylazine. Lidocaine 2% was injected at the center of the paralumbar fossa (left or right), and an incision was made for introduction of a trocar–cannula assembly. Room air was allowed to enter the abdomen through the cannula at the time of insertion. Once the peritoneal cavity was reached, an operating endoscope was inserted. No pressurized insufflation was performed. A biopsy forceps was introduced into the operating channel of the endoscope to obtain a 100-mg kidney or liver sample. No complications were encountered. The 24 laparoscopic procedures provided 24 kidney and 16 liver samples. The results suggest that the isobaric (gasless) single-port laparoscopic technique is feasible for kidney and liver biopsy on standing steers. The procedure can be performed in a reliable and efficient manner in the sedated standing bovine. PMID:19337395

  11. The Oak Ridge Isobar and Isomer Separator and Spectrometer (ORISS)

    NASA Astrophysics Data System (ADS)

    Piechaczek, Andreas; Batchelder, J. C.; Carter, H. K.; Reed, C. A.; Yair, O.; Shchepunov, V.; Zganjar, E. F.; Blalock, A.; Berridge, S.; Todd, R.; Armstrong, G.; Omoumi, K.; Fleury, A. R.; Hu, Y.

    2011-04-01

    ORISS is an electrostatic high-resolution isobar and isomer spectrometer and separator to provide pure beams for decay spectroscopy of exotic nuclei. It consists of an RFQ, low emittance, ion cooler and buncher, a multi-pass time-of-flight spectrometer, and a time-of-flight detector to register time-of-flight spectra, or a Bradbury Nielsen (BN) gate to physically separate isobars and isomers of interest. Presently, ORISS uses an off-line ion source. Ion bunches as short as 8 ns FWHM have been produced in the buncher, and a BN gate with transition times open/closed of 15 ns was built. These results of individual component tests together with ion optical calculations predict a mass resolving power of 400,000 and transmission of 50% for the completed system. In the future, radioactive ions from the Holifield Radioactive Ion Beam Facility at ORNL will be injected. Results of first test measurements of the complete off-line system will be presented.

  12. Nested sampling of isobaric phase space for the direct evaluation of the isothermal-isobaric partition function of atomic systems.

    PubMed

    Wilson, Blake A; Gelb, Lev D; Nielsen, Steven O

    2015-10-21

    Nested Sampling (NS) is a powerful athermal statistical mechanical sampling technique that directly calculates the partition function, and hence gives access to all thermodynamic quantities in absolute terms, including absolute free energies and absolute entropies. NS has been used predominately to compute the canonical (NVT) partition function. Although NS has recently been used to obtain the isothermal-isobaric (NPT) partition function of the hard sphere model, a general approach to the computation of the NPT partition function has yet to be developed. Here, we describe an isobaric NS (IBNS) method which allows for the computation of the NPT partition function of any atomic system. We demonstrate IBNS on two finite Lennard-Jones systems and confirm the results through comparison to parallel tempering Monte Carlo. Temperature-entropy plots are constructed as well as a simple pressure-temperature phase diagram for each system. We further demonstrate IBNS by computing part of the pressure-temperature phase diagram of a Lennard-Jones system under periodic boundary conditions. PMID:26493898

  13. Nested sampling of isobaric phase space for the direct evaluation of the isothermal-isobaric partition function of atomic systems

    NASA Astrophysics Data System (ADS)

    Wilson, Blake A.; Gelb, Lev D.; Nielsen, Steven O.

    2015-10-01

    Nested Sampling (NS) is a powerful athermal statistical mechanical sampling technique that directly calculates the partition function, and hence gives access to all thermodynamic quantities in absolute terms, including absolute free energies and absolute entropies. NS has been used predominately to compute the canonical (NVT) partition function. Although NS has recently been used to obtain the isothermal-isobaric (NPT) partition function of the hard sphere model, a general approach to the computation of the NPT partition function has yet to be developed. Here, we describe an isobaric NS (IBNS) method which allows for the computation of the NPT partition function of any atomic system. We demonstrate IBNS on two finite Lennard-Jones systems and confirm the results through comparison to parallel tempering Monte Carlo. Temperature-entropy plots are constructed as well as a simple pressure-temperature phase diagram for each system. We further demonstrate IBNS by computing part of the pressure-temperature phase diagram of a Lennard-Jones system under periodic boundary conditions.

  14. The isobaric multiplet mass equation for A≤71 revisited

    SciTech Connect

    Lam, Yi Hua; Blank, Bertram; Smirnova, Nadezda A.; Bueb, Jean Bernard; Antony, Maria Susai

    2013-11-15

    Accurate mass determination of short-lived nuclides by Penning-trap spectrometers and progress in the spectroscopy of proton-rich nuclei have triggered renewed interest in the isobaric multiplet mass equation (IMME). The energy levels of the members of T=1/2,1,3/2, and 2 multiplets and the coefficients of the IMME are tabulated for A≤71. The new compilation is based on the most recent mass evaluation (AME2011) and it includes the experimental results on energies of the states evaluated up to end of 2011. Taking into account the error bars, a significant deviation from the quadratic form of the IMME for the A=9,35 quartets and the A=32 quintet is observed.

  15. Hard breakup of the deuteron into two {Delta} isobars

    SciTech Connect

    Granados, Carlos G.; Sargsian, Misak M.

    2011-05-15

    We study high-energy photodisintegration of the deuteron into two {Delta} isobars at large center of mass angles within the QCD hard rescattering model (HRM). According to the HRM, the process develops in three main steps: the photon knocks a quark from one of the nucleons in the deuteron; the struck quark rescatters off a quark from the other nucleon sharing the high energy of the photon; then the energetic quarks recombine into two outgoing baryons which have large transverse momenta. Within the HRM, the cross section is expressed through the amplitude of pn{yields}{Delta}{Delta} scattering which we evaluated based on the quark-interchange model of hard hadronic scattering. Calculations show that the angular distribution and the strength of the photodisintegration is mainly determined by the properties of the pn{yields}{Delta}{Delta} scattering. We predict that the cross section of the deuteron breakup to {Delta}{sup ++}{Delta}{sup -} is 4-5 times larger than that of the breakup to the {Delta}{sup +}{Delta}{sup 0} channel. Also, the angular distributions for these two channels are markedly different. These can be compared with the predictions based on the assumption that two hard {Delta} isobars are the result of the disintegration of the preexisting {Delta}{Delta} components of the deuteron wave function. In this case, one expects the angular distributions and cross sections of the breakup in both {Delta}{sup ++}{Delta}{sup -} and {Delta}{sup +}{Delta}{sup 0} channels to be similar.

  16. All-atom force field for the prediction of vapor-liquid equilibria and interfacial properties of HFA134a.

    PubMed

    Peguin, Robson P S; Kamath, Ganesh; Potoff, Jeffrey J; da Rocha, Sandro R P

    2009-01-01

    A new all-atom force field capable of accurately predicting the bulk and interfacial properties of 1,1,1,2-tetrafluoroethane (HFA134a) is reported. Parameterization of several force fields with different initial charge configurations from ab initio calculations was performed using the histogram reweighting method and Monte Carlo simulations in the grand canonical ensemble. The 12-6 Lennard-Jones well depth and diameter for the different HFA134a models were determined by fitting the simulation results to pure-component vapor-equilibrium data. Initial screening of the force fields was achieved by comparing the calculated and experimental bulk properties. The surface tension of pure HFA134a served as an additional screening property to help discriminate an optimum model. The proposed model reproduces the experimental saturated liquid and vapor densities, and the vapor pressure for HFA134a within average errors of 0.7%, 4.4%, and 3.1%, respectively. Critical density, temperature, vapor pressure, normal boiling point, and heat of vaporization at 298 K are also in good agreement with experimental data with errors of 0.2%, 0.1%, 6.2%, 0%, 2.2%, respectively. The calculated surface tension is found to be within the experimental range of 7.7-8.1 mN.m(-1). The dipole moment of the different models was found to significantly affect the prediction of the vapor pressure and surface tension. The ability of the HFA134a models in predicting the interfacial tension against water is also discussed. The results presented here are relevant in the development of technologies where the more environmentally friendly HFA134a is utilized as a substitute to the ozone depleting chlorofluorocarbon propellants. PMID:19086791

  17. High-yield growth of p-Si microprobe arrays by selective vapor liquid solid method using in situ doping and their properties

    NASA Astrophysics Data System (ADS)

    Islam, Md. Shofiqul; Kawashima, Takahiro; Sawada, Kazuaki; Ishida, Makoto

    2007-08-01

    Au-catalyzed selective vapor-liquid-solid (VLS) growth using in situ doping with the gas source of Si 2H 6 and B 2H 6 has been used to realize p-type Si-microprobe array with very high yield and the properties of these p-Si microprobes have been investigated in this work. VLS growth using Si 2H 6 only gives intrinsic Si microprobes, which could be doped by diffusion process (at 1100 °C) after VLS growth. But incorporating in situ doping using the mixed gas of Si 2H 6 and B 2H 6 with VLS growth process, doped p-Si microprobes can be realized directly at a temperature (less than 700 °C) lower than that required at diffusion process. The diameter and length of these microprobes can be selectively controlled by forming Au dots with desired size and thickness at the desired position along with the tuning of the growth conditions and time. The effects of boron doping on the growth rate and the electrical properties of these p-Si microprobes are investigated. Due to low-temperature processing, in situ doping approach is compatible to realize doped p-Si microprobe array with on-chip circuitry to develop smart chips for sensor applications. Also this study of p-probe properties would be useful while realizing vertical active devices like diodes, transistors, etc. with p-Si microprobes.

  18. Integration of out-of-plane silicon dioxide microtubes, silicon microprobes and on-chip NMOSFETs by selective vapor liquid solid growth

    NASA Astrophysics Data System (ADS)

    Takei, Kuniharu; Kawashima, Takahiro; Kawano, Takeshi; Takao, Hidekuni; Sawada, Kazuaki; Ishida, Makoto

    2008-03-01

    Three-dimensional microtubes and microprobes with MOSFET circuits are integrated for use in chemical and electrical neural interface applications with microelectronics. We propose a vapor-liquid-solid (VLS) method to realize both the microtubes and microprobes, which are 2 µm and 3.6 µm in diameter, respectively, and can be fabricated after the on-chip MOSFET processes. The on-chip NMOSFET shows electrical characteristics with a threshold voltage of 1.2 V and a subthreshold swing of 145 mV decade-1, confirming that subsequent fabrications of the tube and probe are compatible with the inclusion of the on-chip circuits. The prototype oxide tube, which has 2.7 µm inner diameter and 29 µm height, has a flow rate of 550 nl min-1 with an external pump pressure of 33.5 kPa. The impedance of the on-chip Si probe, which has 2 µm diameter and 30 µm height, measured at 1 kHz in a saline environment is 2 MΩ. Insertion into a gelatin membrane confirms that both the tube and the probe show sufficient penetration capabilities.

  19. Realization of In Situ Doped n-Type and p-Type Si-Microprobe Array by Selective Vapor-Liquid-Solid (VLS) Growth Method

    NASA Astrophysics Data System (ADS)

    Islam, Md. Shofiqul; Ishino, Hiroshi; Kawano, Takeshi; Takao, Hidekuni; Sawada, Kazuaki; Ishida, Makoto

    2005-04-01

    In this paper we report the development of n-type and p-type Si-microprobe arrays fabricated by using in situ doping in vapor-liquid-solid (VLS) growth employing a gas-source molecular beam epitaxy (GS-MBE) system as the growth environment. VLS growth using Si2H6 only gives intrinsic Si microprobes with the resistivity of ˜104 Ω-cm, which decreases to ˜10-2 Ω-cm after phosphorous diffusion at 1100°C. However, by incorporating in situ doping into the VLS growth method, more conductive probes (resistivity ˜10-3 Ω-cm) can be realized at a temperature less than 700°C. The site and diameter of the VLS-grown probe can be controlled and the growth rate is higher than that of a poly-Si or epitaxial Si crystal grown by the vapor-solid (VS) method. Due to the low processing temperature, \\textit{in situ} doping is effective for realizing highly conductive probe arrays with smart sensor devices by a standard IC process followed by VLS growth. The wide range of doping leads to the possibility of using these probes for the fabrication of vertical active devices such as diodes and transistors.

  20. Interface pn junction arrays with high yielded grown p-Si microneedles by vapor-liquid-solid method at low temperature

    NASA Astrophysics Data System (ADS)

    Islam, Md. Shofiqul; Ishida, Makoto

    2015-01-01

    In this work we report the fabrication and investigation of the properties of interface pn junction arrays formed at the interface of vertically aligned p-Si microneedles and n-Si substrate. Arrays of boron doped p-Si microneedles were grown on n-Si substrate with the maximum yield of 100% by Au-catalysed vapor-liquid-solid (VLS) growth using in-situ doping with the mixed gas of Si2H6 and B2H6 at temperature less than 700 °C, which is low as compared to the temperature (1100 °C) required by diffusion process to dope Si microneedles after VLS growth. The physical dimension (diameter, length) and position of these p-Si microneedles can be controlled. The variation of growth rate, diameter, conductivity, impurity concentration and hole mobility of these p-Si microneeedles were investigated with the variation of boron doping. The pn junctions, formed with p-Si microneedles having different diameters, were found to exhibit standard diode characteristics. These pn junction embedded Si microneedle arrays might be potential candidate in sensor area applications. Again, low temperature processing would be compatible to integrate these junction arrays with other circuitry on a chip. This work provides one step forward to realize more sophisticated vertical active devices (BJT, MOSFET, etc) with Si microneedles.

  1. The generation of HCl in the system CaCl2-H2O: Vapor-liquid relations from 380-500°C

    USGS Publications Warehouse

    Bischoff, James L.; Rosenbauer, Robert J.; Fournier, Robert O.

    1996-01-01

    We determined vapor-liquid relations (P-T-x) and derived critical parameters for the system CaCl2-H2O from 380-500??C. Results show that the two-phase region of this system is extremely large and occupies a significant portion of the P-T space to which circulation of fluids in the Earth's crust is constrained. Results also show the system generates significant amounts of HCl (as much as 0.1 mol/kg) in the vapor phase buffered by the liquid at surprisingly high pressures (???230 bars at 380??C, <580 bars at 500??C), presumably by hydrolysis of CaCl2: CaCl2 + 2H2O = Ca(OH)2 + 2HCl. We interpret the abundance of HCl in the vapor as due to its preference for the vapor phase, and by the preference of Ca(OH)2 for either the liquid phase or solid. The recent recognition of the abundance of CaCl2 in deep brines of the Earth's crust and their hydrothermal mobilization makes the hydrolysis of CaCl2 geologically important. The boiling of Ca-rich brines produces abundant HCl buffered by the presence of the liquid at moderate pressures. The resultant Ca(OH)2 generated by this process reacts with silicates to form a variety of alteration products, such as epidote, whereas the vapor produces acid-alteration of rocks through which it ascends.

  2. Fabrication and electrical characterization of homo- and hetero-structure Si/SiGe nanowire Tunnel Field Effect Transistor grown by vapor-liquid-solid mechanism

    NASA Astrophysics Data System (ADS)

    Brouzet, V.; Salem, B.; Periwal, P.; Alcotte, R.; Chouchane, F.; Bassani, F.; Baron, T.; Ghibaudo, G.

    2016-04-01

    We demonstrate the fabrication and electrical characterization of Ω -gate Tunnel Field Effect Transistors (TFET) based on p-Si/i-Si/n+Si0.7Ge0.3 heterostructure nanowires grown by Chemical Vapor Deposition (CVD) using the vapor-liquid-solid (VLS) mechanism. The electrical performances of the p-Si/i-Si/n+Si0.7Ge0.3 heterostructure TFET device are presented and compared to Si and Si0.7Ge0.3 homostructure nanowire TFETs. We observe an improvement of the electrical performances of TFET with p-Si/i-Si/n+Si0.7Ge0.3 heterostructure nanowire (HT NW). The optimized devices present an Ion current of about 245 nA at VDS = -0.5 V and VGS = -3 V with a subthreshold swing around 135 mV/dec. Finally, we show that the electrical results are in good agreement with numerical simulation using Kane's Band-to-Band Tunneling model.

  3. Vapor-liquid-solid growth route to AlN nanowires on Au-coated Si substrate by direct nitridation of Al powder

    NASA Astrophysics Data System (ADS)

    Yu, Leshu; Lv, Yingying; Zhang, Xiaolan; Zhang, Yiyue; Zou, Ruyi; Zhang, Fan

    2011-11-01

    In the past several decades vapor-liquid-solid (VLS) growth mechanism has been used for constructing one dimensional (1D) AlN nanostructures though the clear observation of metallic catalyst particles on top of individual 1D nanostructure is rare. Using Au thin film on Si substrate as metallic catalyst, fine AlN nanowires were grown through the nitridation of Al powder in this study. The systematic characterizations including scanning electron microscopy (SEM), transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX) have confirmed the existence of metallic catalyst particles on the top of each AlN nanowire. Therefore the AlN nanowires growth is indeed accomplished via VLS process. The VLS-generated conditions including thickness of Au film and reaction temperature were also explored for the growth of AlN nanowires. Incidentally some other AlN nanostructures such as faceted cross-sectional nanorods, nanobelt and nanocomb were also obtained via vapor-solid growth mechanism on the Si substrate.

  4. Growth mechanism of metal-oxide nanowires synthesized by electron beam evaporation: A self-catalytic vapor-liquid-solid process

    NASA Astrophysics Data System (ADS)

    Yu, Hak Ki; Lee, Jong-Lam

    2014-10-01

    We report the growth mechanism of metal oxide nanostructures synthesized by electron beam evaporation. The condensed electron beam can easily decompose metal oxide sources that have a high melting point, thereby creating a self-catalytic metal nanodot for the vapor-liquid-solid process. The metal oxide nanostructures can be grown at a temperature just above the melting point of the self-catalyst by dissolving oxygen. The morphology of nanostructures, such as density and uniformity, strongly depends on the surface energy and surface migration energy of the substrate. The density of the self-catalytic metal nanodots increased with decreasing surface energies of the substrate due to the perfect wetting phenomenon of the catalytic materials on the high surface energy substrate. However, the surfaces with extremely low surface energy had difficulty producing the high density of self-catalyst nanodot, due to positive line tension, which increases the contact angle to >180°. Moreover, substrates with low surface migration energy, such as single layer graphene, make nanodots agglomerate to produce a less-uniform distribution compared to those produced on multi-layer graphene with high surface migration energy.

  5. Comparative study of the effects of phosphorus and boron doping in vapor-liquid-solid growth with fixed flow of silicon gas

    NASA Astrophysics Data System (ADS)

    Islam, Md. Shofiqul; Mehedi, Ibrahim Mustafa

    2016-04-01

    This work was carried out to investigate the comparative effects of phosphorus and boron doing in vapor-liquid-solid (VLS) growth. Doped Si microneedles were grown by VLS mechanism at the temperature of 700 °C or less using Au as the catalyst. VLS growth using in-situ doping with the mixed gas of Si2H6 and PH3 produced phosphorus doped n-Si microneedles at Au dot sites, whereas, the mixed gas of Si2H6 and B2H6 produced boron doped p-Si microneedles. The variation of growth rate, diameter, resistivity, impurity concentration and carrier (electron, hole) mobility of these n-Si and p-Si microneeedles were investigated and compared with the variation of dopant gas (PH3 or B2H6) flow, with a fixed flow of Si gas (Si2H6). This comparative study shall be helpful while fabricating devices by growing n-Si and p-Si microneedles one above another by multistep (2-step or 3-step) VLS growth.

  6. Growth mechanism of metal-oxide nanowires synthesized by electron beam evaporation: a self-catalytic vapor-liquid-solid process.

    PubMed

    Yu, Hak Ki; Lee, Jong-Lam

    2014-01-01

    We report the growth mechanism of metal oxide nanostructures synthesized by electron beam evaporation. The condensed electron beam can easily decompose metal oxide sources that have a high melting point, thereby creating a self-catalytic metal nanodot for the vapor-liquid-solid process. The metal oxide nanostructures can be grown at a temperature just above the melting point of the self-catalyst by dissolving oxygen. The morphology of nanostructures, such as density and uniformity, strongly depends on the surface energy and surface migration energy of the substrate. The density of the self-catalytic metal nanodots increased with decreasing surface energies of the substrate due to the perfect wetting phenomenon of the catalytic materials on the high surface energy substrate. However, the surfaces with extremely low surface energy had difficulty producing the high density of self-catalyst nanodot, due to positive line tension, which increases the contact angle to >180°. Moreover, substrates with low surface migration energy, such as single layer graphene, make nanodots agglomerate to produce a less-uniform distribution compared to those produced on multi-layer graphene with high surface migration energy. PMID:25300518

  7. Compact high resolution isobar separator for study of exotic decays

    NASA Astrophysics Data System (ADS)

    Shchepunov, V.; Piechaczek, A.; Carter, H. K.; Batchelder, J. C.; Zganjar, E. F.

    2009-05-01

    A compact isobar separator, based on the Multi-Pass-Time-of-Flight (MTOF) principle, is developed. A mass resolving power (MRP) of 110,000 (FWHM) is achieved as spectrometer with a transmission of 50 - 80%. The transverse beam acceptance and the energy acceptance are 42 π mm mrad and about ± 2.5%. Operated as a separator, molecules of N2 and CO with δM/M = 1/2500 or 10.433 MeV were separated with a Bradbury Nielsen gate. In that mode of operation, the MRP (FWHM) is about 40,000 after 120 laps. To inject radioactive ion beams into the separator, and to further improve its MRP, cooler and buncher RF quadrupoles were designed^1 and tested. A bunch width of 30 ns at 1% of the peak height (FWHM = 9 ns) and a transmission in DC mode of 75 -- 80 % were achieved. With such bunch parameters, MRPs of ˜ 400,000 (FWHM) are expected for the MTOF separator. At HRIBF, it will provide pure samples of exotic nuclides around ^100Sn, of neutron deficient rare-earth nuclei and of neutron-rich nuclei. Incidental measurements of mass differences will determine Qβ values with accuracies of ˜ 1%. ^1 V. Shchepunov and V. Kozlovskiy et al., to be published

  8. A new gas-tight isobaric sampler for hydrothermal fluids

    NASA Astrophysics Data System (ADS)

    Seewald, Jeffrey S.; Doherty, Kenneth W.; Hammar, Terence R.; Liberatore, Stephen P.

    2002-01-01

    A new gas-tight isobaric sampler for the collection of hydrothermal fluids venting at the seafloor has been designed, constructed, and tested at a ridge-crest vent site. The new device is constructed of chemically inert titanium, is gas-tight to 450 bar and can be used to sample fluids with temperatures up to 400°C. Compressed gas is used to maintain the sample at seafloor pressure before and during sample withdrawal onboard ship, allowing subsampling without degassing the fluid remaining in the sampler. This feature eliminates the need to collect separate gas-tight and major element samples since a single fluid sample can be analyzed quantitatively for major, trace, semi-volatile, and volatile components. The sampler fill rate is regulated to minimize entrainment of ambient seawater during collection of fluids from environments characterized by low fluid flow such as diffuse hydrothermal vents. In addition to deployment at the ridge-crest, the samplers can be used to collect gas-tight samples from other subseasurface environments such as hydrocarbon seeps, areas of methane-gas hydrate formation, cold seeps associated with serpentinites, regions of groundwater egress to the oceans, and the water column.

  9. Vapor-liquid equilibria for difluoromethane + dichloromethane at 303.2 and 313.2 K and 1,1-difluoroethane + vinyl chloride at 303.2 and 323.2 K

    SciTech Connect

    Lim, J.S.; Lee, Y.W.; Lee, Y.Y.

    1997-05-01

    Isothermal vapor-liquid equilibria for difluoromethane (HFC-32) + dichloromethane at 303.2 K and 313.2 K and 1,1-difluoroethane (HFC-152a) + vinyl chloride at 303.2 K and 323.2 K were measured in a circulation-type apparatus. The experimental data were correlated with the Peng-Robinson equation of state using the Wong and Sandler mixing rule, and the relevant parameters are presented.

  10. Vapor-liquid-solid epitaxial growth of Si1-xGex alloy nanowires: Composition dependence on precursor reactivity and morphology control for vertical forests

    NASA Astrophysics Data System (ADS)

    Choi, S. G.; Manandhar, P.; Picraux, S. T.

    2015-07-01

    Growth of high-density group IV alloy nanowire forests is critical for exploiting their unique functionalities in many applications. Here, the compositional dependence on precursor reactivity and optimized conditions for vertical growth are studied for Si1-xGex alloy nanowires grown by the vapor-liquid-solid method. The nanowire composition versus gas partial-pressure ratio for germane-silane and germane-disilane precursor combinations is obtained at 350 °C over a wide composition range (0.05 ≤ x ≤ 0.98) and a generalized model to predict composition for alloy nanowires is developed based on the relative precursor partial pressures and reactivity ratio. In combination with germane, silane provides more precise compositional control at high Ge concentrations (x > 0.7), whereas disilane greatly increases the Si concentration for a given gas ratio and enables more precise alloy compositional control at small Ge concentrations (x < 0.3). Vertically oriented, non-kinking nanowire forest growth on Si (111) substrates is then discussed for silane/germane over a wide range of compositions, with temperature and precursor partial pressure optimized by monitoring the nanowire growth front using in-situ optical reflectance. For high Ge compositions (x ≈ 0.9), a "two-step" growth approach with nucleation at higher temperatures results in nanowires with high-density and uniform vertical orientation. With increasing Si content (x ≈ 0.8), the optimal growth window is shifted to higher temperatures, which minimizes nanowire kinking morphologies. For Si-rich Si1-xGex alloys (x ≈ 0.25), vertical nanowire growth is enhanced by single-step, higher-temperature growth at reduced pressures.

  11. Measurement of vapor/liquid distributions in a binary-component fuel spray using laser imaging of droplet scattering and vapor absorption

    NASA Astrophysics Data System (ADS)

    Li, Shiyan; Zhang, Yuyin; Wu, Shenqi; Xu, Bin

    2014-08-01

    Fuel volatility has a great effect on its evaporation processes and the mixture formation and thus combustion and emissions formation processes in internal combustion engines. To date, however, instead of the actual gasoline or diesel fuel, many researchers have been using single-component fuel in their studies, because the composition of the former is too complicated to understand the real physics behind the evaporation and combustion characteristics. Several research groups have reported their results on droplets evaporation in a spray of multi-component fuel, carried out both numerically and experimentally. However, there are plenty of difficulties in quantitative determination of vapor concentration and droplet distributions of each component in a multicomponent fuel spray. In this study, to determine the vapor phase concentration and droplet distributions in an evaporating binary component fuel spray, a laser diagnostics based on laser extinction by droplet scattering and vapor absorption was developed. In practice, measurements of the vapor concentration distributions of the lower (n-tridencane) and higher (n-octane) volatility components in the binary component fuel sprays have been carried out at ambient temperatures of 473K and 573K, by substituting p-xylene for noctane or α-methylnaphthalene for n-tridecane. p-Xylene and α-methylnaphthalene were selected as the substitutes is because they have strong absorption band near 266nm and transparent near 532nm and, their thermo-physical properties are similar to those of the original component. As a demonstration experiment, vapor/liquid distribution of the lower boiling point (LBP) and higher boiling point (HBP) components in the binary component fuel spray have been obtained.

  12. Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. II. Confined fluids and vapor-liquid interfaces

    SciTech Connect

    Ghobadi, Ahmadreza F.; Elliott, J. Richard

    2014-07-14

    In this work, a new classical density functional theory is developed for group-contribution equations of state (EOS). Details of implementation are demonstrated for the recently-developed SAFT-γ WCA EOS and selective applications are studied for confined fluids and vapor-liquid interfaces. The acronym WCA (Weeks-Chandler-Andersen) refers to the characterization of the reference part of the third-order thermodynamic perturbation theory applied in formulating the EOS. SAFT-γ refers to the particular form of “statistical associating fluid theory” that is applied to the fused-sphere, heteronuclear, united-atom molecular models of interest. For the monomer term, the modified fundamental measure theory is extended to WCA-spheres. A new chain functional is also introduced for fused and soft heteronuclear chains. The attractive interactions are taken into account by considering the structure of the fluid, thus elevating the theory beyond the mean field approximation. The fluctuations of energy are also included via a non-local third-order perturbation theory. The theory includes resolution of the density profiles of individual groups such as CH{sub 2} and CH{sub 3} and satisfies stoichiometric constraints for the density profiles. New molecular simulations are conducted to demonstrate the accuracy of each Helmholtz free energy contribution in reproducing the microstructure of inhomogeneous systems at the united-atom level of coarse graining. At each stage, comparisons are made to assess where the present theory stands relative to the current state of the art for studying inhomogeneous fluids. Overall, it is shown that the characteristic features of real molecular fluids are captured both qualitatively and quantitatively. For example, the average pore density deviates ∼2% from simulation data for attractive pentadecane in a 2-nm slit pore. Another example is the surface tension of ethane/heptane mixture, which deviates ∼1% from simulation data while the theory reproduces the excess accumulation of ethane at the interface.

  13. The non-Newtonian heat and mass transport of He 2 in porous media used for vapor-liquid phase separation. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Yuan, S. W. K.

    1985-01-01

    This investigation of vapor-liquid phase separation (VLPS) of He 2 is related to long-term storage of cryogenic liquid. The VLPS system utilizes porous plugs in order to generate thermomechanical (thermo-osmotic) force which in turn prevents liquid from flowing out of the cryo-vessel (e.g., Infrared Astronomical Satellite). An apparatus was built and VLPS data were collected for a 2 and a 10 micrometer sintered stainless steel plug and a 5 to 15 micrometer sintered bronze plug. The VLPS data obtained at high temperature were in the nonlinear turbulent regime. At low temperature, the Stokes regime was approached. A turbulent flow model was developed, which provides a phenomenological description of the VLPS data. According to the model, most of the phase separation data are in the turbulent regime. The model is based on concepts of the Gorter-Mellink transport involving the mutual friction known from the zero net mass flow (ZNMF) studies. The latter had to be modified to obtain agreement with the present experimental VLPS evidence. In contrast to the well-known ZNMF mode, the VLPS results require a geometry dependent constant (Gorter-Mellink constant). A theoretical interpretation of the phenomenological equation for the VLPS data obtained, is based on modelling of the dynamics of quantized vortices proposed by Vinen. In extending Vinen's model to the VLPS transport of He 2 in porous media, a correlation between the K*(GM) and K(p) was obtained which permits an interpretation of the present findings. As K(p) is crucial, various methods were introduced to measure the permeability of the porous media at low temperatures. Good agreement was found between the room temperature and the low temperature K(p)-value of the plugs.

  14. Vapor-liquid-solid epitaxial growth of Si1-xGex alloy nanowires. Composition dependence on precursor reactivity and morphology control for vertical forests

    DOE PAGESBeta

    Choi, S. G.; Manandhar, P.; Picraux, S. T.

    2015-07-07

    The growth of high-density group IV alloy nanowire forests is critical for exploiting their unique functionalities in many applications. Here, the compositional dependence on precursor reactivity and optimized conditions for vertical growth are studied for Si1- x Ge x alloy nanowires grown by the vapor-liquid-solid method. The nanowire composition versus gas partial-pressure ratio for germane-silane and germane-disilane precursor combinations is obtained at 350°C over a wide composition range (0.05 ≤ x ≤ 0.98) and a generalized model to predict composition for alloy nanowires is developed based on the relative precursor partial pressures and reactivity ratio. In combination with germane, silanemore » provides more precise compositional control at high Ge concentrations (x > 0.7), whereas disilane greatly increases the Si concentration for a given gas ratio and enables more precise alloy compositional control at small Ge concentrations (x < 0.3). Vertically oriented, non-kinking nanowire forest growth on Si (111) substrates is then discussed for silane/germane over a wide range of compositions, with temperature and precursor partial pressure optimized by monitoring the nanowire growth front using in-situ optical reflectance. For high Ge compositions (x ≈ 0.9), a “two-step” growth approach with nucleation at higher temperatures results in nanowires with high-density and uniform vertical orientation. Furthermore, increasing Si content (x ≈ 0.8), the optimal growth window is shifted to higher temperatures, which minimizes nanowire kinking morphologies. For Si-rich Si1- x Ge x alloys (x ≈ 0.25), vertical nanowire growth is enhanced by single-step, higher-temperature growth at reduced pressures.« less

  15. 4C modeling of the supercritical helium loop HELIOS in isobaric configuration

    NASA Astrophysics Data System (ADS)

    Guelfi, F.; Bonifetto, R.; Hoa, C.; Savoldi, L.; Zanino, R.

    2014-11-01

    Superconducting magnets for tokamak fusion reactors are subject to highly variable loads due to the intrinsically pulsed operation of the machine. The refrigerator should, on the contrary, work under conditions as stable as possible and should be sized based on the averaged loads. In this paper, the cryogenic circuit module of the 4C (Cryogenic Circuit Conductor and Coil) code is used to analyze the isobaric configuration of the HELIOS (HElium Loop for hIgh lOads Smoothing) facility at CEA Grenoble, France. The 4C model is validated against experimental data from the isobaric HELIOS configuration: the computed evolution of temperature, pressure and mass flow rate at different circuit locations shows a good agreement with the measurements for two different pulsed heat load scenarios, with and without regulation. The advantages of the (somewhat more complicated) isobaric configuration vs. the isochoric configuration in terms of heat load smoothing are highlighted. 4C simulations are used to propose a new HELIOS layout with helium charging and discharging lines located in such a way that the HELIOS performance in the isobaric configuration is optimized. The paper confirms the importance of the isobaric configuration for a tokamak cryogenic circuit, as well as the accuracy of 4C in modeling the HELIOS operation, even in the presence of complex regulation.

  16. Thermodynamics of Si(OH)4 in the vapor phase of water: Henry’s and vapor-liquid distribution constants, fugacity and cross virial coefficients

    NASA Astrophysics Data System (ADS)

    Plyasunov, Andrey V.

    2012-01-01

    The fugacity coefficients of Si(OH)4 are evaluated from solubilities of solid phases of SiO2 in the vapor phase of water. The virial equation of state, truncated at the third virial coefficient, is employed to describe the fugacity coefficients of Si(OH)4. The temperature dependencies of the second, B12, and the third, C112, cross virial coefficients for H2O-Si(OH)4 interactions are approximated by empirical relations. It is found that silica-water interactions in the vapor phase are significantly more non-ideal compared to water-water interactions. Knowledge of B12 and C112 allows calculation of solubilities of quartz (Q) and amorphous silica (AS) in steam up to the density of 200 kg m-3 in satisfactory agreement with available data, and should provide reasonable solubility values at temperatures where no experimental results exist. The calculated values of the solubility of Q and AS in saturated vapor up to the critical temperature of water, Tc, are tabulated. The partial molar properties of dilute solutes close to the critical point of water are governed by the Krichevskii parameter, the value of which for Si(OH)4 is evaluated from available data (mainly vapor-liquid distribution constants for silica) to be equal to -187 ± 10 MPa. The knowledge of the thermodynamic properties of Si(OH)4 in the ideal gas state and in the state of the standard solution in liquid water allows calculating Henry’s constant, kH, for Si(OH)4 up to 623.15 K at water saturation pressure P1∗. The theoretically-based equation, containing the Krichevskii parameter, allows extrapolating kH values all the way toward the critical temperature of water. This, in turn, makes possible calculation of the solubility of quartz and amorphous silica in liquid water at P1∗ at all temperatures up to Tc. The presented results should be useful for modeling solid-liquid-vapor, solid-vapor and liquid-vapor equilibria in the H2O-SiO2 system at steam densities up to 200 kg m-3.

  17. An experimental apparatus proposed for efficient removal of isobaric contaminants in negative ion beams

    NASA Astrophysics Data System (ADS)

    Alton, G. D.; Zhang, Y.

    2008-09-01

    Isobaric contaminants are often problematical in accelerated negative ion beams for research at certain radioactive ion beam (RIB) and accelerator mass spectrometry (AMS) facilities since their presence in low-intensity rare isotopic beams seriously compromise experimental results. This article describes a non-resonant, laser-based photo-detachment apparatus for use at these facilities, which, according to calculations efficiently removes isobaric contaminants from these beams. The advantage of the system for isobaric contaminant removal over other systems proposed to date lies in its ability to efficiently capture easily transportable energetic negative ion beams with low, intermediate or high energy spreads by a superconducting solenoid magnetic field. The ability to change the diameter of captured beams by adjusting the magnetic field strength permits optimum control of the radial overlap of the laser/negative ion beam profiles over an extended interaction region under high vacuum conditions without retarding optical affect, collision-cooling or capture losses.

  18. Vapor-liquid equilibria for 1,1,1,2-tetrafluoroethane + 1-chloro-1,2,2,2-tetrafluoroethane and 1-chloro-1,2,2,2-tetrafluoroethane + 1-chloro-1,1-difluoroethane systems

    SciTech Connect

    Lee, J.; Lee, J.; Kim, H.

    1996-07-01

    Isothermal vapor-liquid equilibria were determined for two binary mixtures of refrigerants with a circulation type apparatus. The 1,1,1,2-tetrafluoroethane (HFC-134a) + 1-chloro-1,2,2,2-tetrafluoroethane (HCFC-124) system was studied at 296.45, 302.25, and 307.25 K. The 1-chloro-1,2,2,2-tetrafluoroethane (HCFC-124) + 1-chloro-1,1-difluoroethane (HCFC-142b) system was studied at 298.15 and 312.15 K. At each temperature, the pressure and vapor and liquid compositions were measured. Results were correlated with the Peng-Robinson equation of state.

  19. Vapor-liquid equilibria for hydrogen fluoride + difluoromethane, + 1,1,1,2-tetrafluoroethane, and + 1-chloro-1,2,2,2-tetrafluoromethane at 283.3 and 298.2 K

    SciTech Connect

    Lee, J.; Kim, H.; Lim, J.S.; Kim, J.D.; Lee, Y.Y.

    1996-01-01

    The production of refrigerants involves the separation of multicomponent mixtures containing hydrogen fluoride, hydrogen chloride, and various chlorinated and fluorinated hydrocarbons. Therefore, it is essential to known the phase behavior of these mixtures. Isothermal vapor-liquid equilibria for hydrogen fluoride (HF) + difluoromethane (HFC-32), HF + 1,1,1,2-tetrafluoroethane (HFC-134a), and HF + 1-chloro-1,2,2,2-tetrafluoroethane (HCFC-124) were measured by the P-T-x method at 283.3 and 298.2 K. Vapor compositions were calculated from these results. Among these systems, the HF + HFC-134a and HF + HCFC-124 systems exhibit minimum boiling azeotropes at both temperatures.

  20. Gas-phase purification enables accurate, large-scale, multiplexed proteome quantification with isobaric tagging

    PubMed Central

    Wenger, Craig D; Lee, M Violet; Hebert, Alexander S; McAlister, Graeme C; Phanstiel, Douglas H; Westphall, Michael S; Coon, Joshua J

    2011-01-01

    We describe a mass spectrometry method, QuantMode, which improves the accuracy of isobaric tag–based quantification by alleviating the pervasive problem of precursor interference—co-isolation of impurities—through gas-phase purification. QuantMode analysis of a yeast sample ‘contaminated’ with interfering human peptides showed substantially improved quantitative accuracy compared to a standard scan, with a small loss of spectral identifications. This technique will allow large-scale, multiplexed quantitative proteomics analyses using isobaric tagging. PMID:21963608

  1. Communication: Resolving the vibrational and configurational contributions to thermal expansion in isobaric glass-forming systems

    NASA Astrophysics Data System (ADS)

    Potuzak, Marcel; Mauro, John C.; Kiczenski, T. J.; Ellison, Adam J.; Allan, Douglas C.

    2010-09-01

    A fundamental understanding of isobaric thermal expansion behavior is critical in all areas of glass science and technology. Current models of glass transition and relaxation behavior implicitly assume that the thermal expansion coefficient of glass-forming systems can be expressed as a sum of vibrational and configurational contributions. However, this assumption is made without rigorous theoretical or experimental justification. Here we present a detailed statistical mechanical analysis resolving the vibrational and configurational contributions to isobaric thermal expansion and show experimental proof of the separability of thermal expansion into vibrational and configurational components for Corning Jade® glass.

  2. Bayesian identification of protein differential expression in multi-group isobaric labelled mass spectrometry data.

    PubMed

    Jow, Howsun; Boys, Richard J; Wilkinson, Darren J

    2014-10-01

    In this paper we develop a Bayesian statistical inference approach to the unified analysis of isobaric labelled MS/MS proteomic data across multiple experiments. An explicit probabilistic model of the log-intensity of the isobaric labels' reporter ions across multiple pre-defined groups and experiments is developed. This is then used to develop a full Bayesian statistical methodology for the identification of differentially expressed proteins, with respect to a control group, across multiple groups and experiments. This methodology is implemented and then evaluated on simulated data and on two model experimental datasets (for which the differentially expressed proteins are known) that use a TMT labelling protocol. PMID:25153608

  3. Probing Temperature from Intermediate Mass Fragment by Isobaric Yield Ratio in Heavy-Ion Collisions

    NASA Astrophysics Data System (ADS)

    Yu, Mian; Wei, Hui-Ling; Ma, Chun-Wang

    2015-12-01

    A probe to extract the temperature (TIYR) from intermediate-mass fragment has been proposed using the isobaric yield ratio (IYR) difference based on the modified Fisher model. By analyzing the isobaric cross section in the measured 140A MeV 40,48Ca+9Be reactions, the TIYR can well fit the IYR difference for the large mass fragments. Because of the fragments are produced in different colliding regions, it is also suggested to select the fragments according to different mechanisms when using TIYR. Supported by Program for Science & Technology Innovation Talents in Universities of Henan Province under Grant No. 13HASTIT046

  4. Revalidation of the isobaric multiplet mass equation at A = 53, T = 3/2

    NASA Astrophysics Data System (ADS)

    Su, J.; Liu, W. P.; Zhang, N. T.; Shen, Y. P.; Lam, Y. H.; Smirnova, N. A.; MacCormick, M.; Wang, J. S.; Jing, L.; Li, Z. H.; Wang, Y. B.; Guo, B.; Yan, S. Q.; Li, Y. J.; Zeng, S.; Lian, G.; Du, X. C.; Gan, L.; Bai, X. X.; Gao, Z. C.; Zhang, Y. H.; Zhou, X. H.; Tang, X. D.; He, J. J.; Yang, Y. Y.; Jin, S. L.; Ma, P.; Ma, J. B.; Huang, M. R.; Bai, Z.; Zhou, Y. J.; Ma, W. H.; Hu, J.; Xu, S. W.; Ma, S. B.; Chen, S. Z.; Zhang, L. Y.; Ding, B.; Li, Z. H.; Audi, G.

    2016-05-01

    The T = 3 / 2 isobaric analog state (IAS) in 53Co is firmly established through a comprehensive measurement of β-delayed γ and proton decay of 53Ni. The determined excitation energy of 53Co IAS combined with the mass of 53Co generates a precise mass excess of - 38 333.6 (27) keV for the 53Co IAS, which is 70(18) keV lower than the previously adopted value. The new result solves a problem raised by incorrect assignments of the 53Co IAS of unexpected deviation from the isobaric multiplet mass equation (IMME) at A = 53, T = 3 / 2.

  5. High-Throughput Quantitative Proteomics Enabled by Mass Defect-Based 12-Plex DiLeu Isobaric Tags.

    PubMed

    Frost, Dustin C; Li, Lingjun

    2016-01-01

    Isobaric labeling has become a popular technique for high-throughput, mass spectrometry (MS)-based relative quantification of peptides and proteins. However, widespread use of the approach for large-scale proteomics applications has been limited by the high cost of commercial isobaric tags. To address this, we have developed our own N,N-dimethyl leucine (DiLeu) multiplex isobaric tags as a cost-effective alternative that can be synthesized with ease using readily available isotopic reagents. When paired with high-resolution tandem mass (MS (n) ) acquisition, mass defect-based DiLeu isobaric tags allow relative quantification of up to twelve samples in a single liquid chromatography (LC)-MS(2) experiment. Herein, we present detailed methods for synthesis of 12-plex DiLeu isobaric tags, labeling of complex protein digest samples, analysis by high-resolution nanoLC-MS (n) , and processing of acquired data. PMID:26867744

  6. Residue Coulomb Interaction Among Isobars and Its Influence in Symmetry Energy of Neutron-Rich Fragment

    NASA Astrophysics Data System (ADS)

    Ma, Chun-Wang; Wang, Shan-Shan; Zhang, Yan-Li; Zhao, Yi-Long; Wei, Hui-Ling

    2015-09-01

    The residue Coulomb interaction (RCI), which affects the result of symmetry-energy coefficient of neutron-rich nucleus in isobaric yield ratio (IYR) method, is difficult to be determined. Four RCI approximations are investigated: (i) The M1-RCI adopting the ac/T (the ratio of Coulomb energy coefficient to temperature) determined from the IYR of mirror-nucleus fragments; (ii) The M2-RCI by fitting the difference between IYRs; (iii) The M3-RCI adopting the standard Coulomb energy at a temperature T = 2 MeV; and (iv) Neglecting the RCI among isobars. The M1-, M2- and M3-RCI are no larger than 0.4. In particular, the M2-RCI is very close to zero. The effects of RCI in asym/T of fragment are also studied. The M1- and M4-asym/T are found to be the lower and upper limitations of asym/T, respectively. The M2-asym/T overlaps the M4-asym/T, which indicates that the M2-RCI is negligible in the IYR method, and the RCI among the three isobars can be neglected. The relative consistent low values of M3-asym/T (7.5 ± 2.5) are found in very neutron-rich isobars. Supported by the Program for Science & Technology Innovation Talents in Universities of Henan Province (13HASTIT046), and Young Teacher Project in Henan Normal University (HNU), China

  7. High-Resolution Enabled 12-Plex DiLeu Isobaric Tags for Quantitative Proteomics

    PubMed Central

    2015-01-01

    Multiplex isobaric tags (e.g., tandem mass tags (TMT) and isobaric tags for relative and absolute quantification (iTRAQ)) are a valuable tool for high-throughput mass spectrometry based quantitative proteomics. We have developed our own multiplex isobaric tags, DiLeu, that feature quantitative performance on par with commercial offerings but can be readily synthesized in-house as a cost-effective alternative. In this work, we achieve a 3-fold increase in the multiplexing capacity of the DiLeu reagent without increasing structural complexity by exploiting mass defects that arise from selective incorporation of 13C, 15N, and 2H stable isotopes in the reporter group. The inclusion of eight new reporter isotopologues that differ in mass from the existing four reporters by intervals of 6 mDa yields a 12-plex isobaric set that preserves the synthetic simplicity and quantitative performance of the original implementation. We show that the new reporter variants can be baseline-resolved in high-resolution higher-energy C-trap dissociation (HCD) spectra, and we demonstrate accurate 12-plex quantitation of a DiLeu-labeled Saccharomyces cerevisiae lysate digest via high-resolution nano liquid chromatography–tandem mass spectrometry (nanoLC–MS2) analysis on an Orbitrap Elite mass spectrometer. PMID:25405479

  8. Formation of isobaric discontinuities in large-scale flute drift motions

    SciTech Connect

    Dreizin, Y.A.; Sokolov, E.P.

    1982-05-01

    The flute drift motion in MHD-stable plasma configurations with closed lines of force is analyzed qualitatively. The onset of this motion can lead to isobaric discontinuities in experimentally observable quantitites: the electric potential and the electron and ion densities and temperatures.

  9. Tandem mass spectrometric analysis of a mixture of isobars using the survival yield technique.

    PubMed

    Memboeuf, Antony; Jullien, Laure; Lartia, Rémy; Brasme, Bernard; Gimbert, Yves

    2011-10-01

    Collision induced dissociation tandem mass spectrometry experiments were performed to unequivocally separate compounds from an isobaric mixture of two products. The Survival Yield curve was obtained and is shown to consist in a linear combination of the curves corresponding to the two components separately. For such a mixture, a plateau appears on the diagram in lieu of the continuous decrease expected allowing for the structural study of the two components separately. The width of the plateau critically relates to the fragmentation parameters of the two molecular ions, which need to be sufficiently different structurally for the plateau to be observed. However, at constant fragmentation parameters, we have observed the width significantly increases at large m/z. This makes the separation more and more efficient as isobars have larger m/z and the technique complementary to those applicable at low m/z only. We have observed that the vertical position of the plateau relates linearly to the relative concentration of the two compounds that may be useful for quantification. Repeatability was estimated at 2% on a quadrupole ion trap. An advantage of using survival yield curves only, is that a priori knowledge of the respective fragmentation patterns of the two isobars becomes unnecessary. Consequently, similar performances are obtained if fragments are isobaric, which is also demonstrated in our study. The critical case of reverse peptides, at low m/z and similar fragmentation parameters, is also presented as a limitation of the method. PMID:21952888

  10. Study of Isobaric Interference in Quantification of Citrulline by Parallel Fragmentation Monitoring.

    PubMed

    Ng, Eddy Wing Yin; Lam, Hugh Simon; Ng, Pak Cheung; Poon, Terence Chuen Wai

    2014-01-01

    Parallel Fragmentation Monitoring (PFM), which is an analogue of selected reaction monitoring (SRM), is a recently developed method for quantification of small molecules by MALDI-TOF/TOF mass spectrometry (MS). It is well known that isobaric interference substances can be occasionally present in complex biological samples, and affect the accuracy of measurement by SRM. Unfortunately, by design it is not possible to assess whether isobaric interference happens in a SRM analysis. In contrast, the unique design of PFM should allow quick inspection for isobaric interference and subsequent correction. In this study, using arginine as an example, interference effect of isobaric structural analogs on the quantification of citrulline by PFM was evaluated. Our results showed that the presence of arginine affected the measured concentrations of citrulline standard solutions in a concentration dependent manner. Such interference could be observed readily in the MS/MS spectra, and contributed by [arginine+H-NH3](+) fragment ion. Because of having highly similar mass, (13)C-isotope of [arginine+H-NH3](+) fragment ion overlapped with monoisotope of [citrulline+H-NH3](+) fragment ion, which was used as the report ion for quantification. However, such interference could be mathematically eliminated or minimized through estimation of the signal intensity of the (13)C-isotopic peak of [arginine+H-NH3](+) from the intensity of the corresponding monoisotopic peak according to isotope distribution of elements. Furthermore, the presence of interfering fragment ions could be avoided by optimizing MALDI ionization condition. In conclusion, isobaric interference can happen in PFM, but can be easily identified in the mass spectra and eliminated (minimized) with simple methods. PMID:26819902

  11. PVT measurements on tetrafluoroethane (R134a) along the vapor-liquid equilibrium boundary between 288 and 373 K and in the liquid state from the triple point to 265 K

    SciTech Connect

    Blanke, W.; Klingenberg, G.; Weiss, R.

    1995-09-01

    For the investigations of the gas-liquid phase equilibria, a new apparatus has been developed capable of simultaneously determining the pressure and the liquid and vapor densities using Archmiedes` principle. The relative measurement uncertainties of the liquid and vapor densities of R134a (purity, 99.999%) at 313 K are 2 X 10 {sup -4} and 7 X 10{sup -4}, respectively (95% confidence level). For the measurements in the liquid region along nine quasi-isochores at pressures up to 5MPa, an isochoric apparatus was used. The relative measurement uncertainty of pv/(RT) is less than 1X10{sup -3}. In addition to the investigation of the (p,v,T) properties, the temperature and pressure at the triple point and the vapor pressure between the triple point and 265 K were measured. On the basis of these data, a vapor pressure correlation has been developed that reproduces the measured vapor pressures within the uncertainty of measurement. The results of our measurements of other research groups.

  12. Multicomponent vapor-liquid equilibria measurements for the development of an extractive distillation process for the processing of gas issuing from a CO/sub 2/ enhanced oil recovery project

    SciTech Connect

    Hong, J.H.; Kobayashi, R.

    1987-02-01

    This paper provides vapor-liquid equilibria data for the design of the upper section of the all-important column treating the stabilized feed gas from CO/sub 2/ enhanced oil recovery (EOR) projects. Again, the extractive agent is represented by n-pentane. The simulated feed gas containing the methane, liquified petroleum gas (LPG) components, and H/sub 2/S is added to n-pentane to form quasi-binary mixtures. A comparison of the K values obtained by the addition of methane to an otherwise similar methane-free gas shows that the effect of methane on the K values of the other constituents becomes increasingly pronounced as the pressure increases.

  13. Phase Structure of the T-matrix and Multichannel Unitary Isobar Model

    NASA Astrophysics Data System (ADS)

    Razavi, S.; Nakayama, K.

    2015-04-01

    By exploiting the full phase structure of the meson-baryon coupled channels reaction amplitude-here including also the photon-baryon channel-an isobar model is constructed which fulfills automatically the unitarity and analyticity conditions of the S-matrix, in addition to gauge invariance in the case of photoproduction. In particular, it is shown that the unitarity of the (resonance) pole amplitude arises from the dressing mechanism inherent in the basic T-matrix equation, requiring no extra unitarity condition on the pole amplitude as is the case in earlier works on isobar models. As an example, the present model is applied in the description of the meson-nucleon reactions including the πN , ηN , σN , ρN and πΔ channels. The latter three account effectively for the ππN channel. FFE-COSY Grant No. 41788390.

  14. Revalidation of the isobaric multiplet mass equation for the A =20 quintet

    NASA Astrophysics Data System (ADS)

    Glassman, B. E.; Pérez-Loureiro, D.; Wrede, C.; Allen, J.; Bardayan, D. W.; Bennett, M. B.; Brown, B. A.; Chipps, K. A.; Febbraro, M.; Fry, C.; Hall, M. R.; Hall, O.; Liddick, S. N.; O'Malley, P.; Ong, W.; Pain, S. D.; Schwartz, S. B.; Shidling, P.; Sims, H.; Thompson, P.; Zhang, H.

    2015-10-01

    An unexpected breakdown of the isobaric multiplet mass equation in the A =20 ,T =2 quintet was recently reported, presenting a challenge to modern theories of nuclear structure. In the present work, the excitation energy of the lowest T =2 state in 20Na has been measured to be 6498.4 ±0 .2stat±0 .4syst keV by using the superallowed 0+→0+ beta decay of 20Mg to access it and an array of high-purity germanium detectors to detect its γ -ray deexcitation. This value differs by 27 keV (1.9 standard deviations) from the recommended value of 6525 ±14 keV and is a factor of 28 more precise. The isobaric multiplet mass equation is shown to be revalidated when the new value is adopted.

  15. 'Coulomb' description of basic relaxation parameters of isobar analog and charge-exchange giant monopole resonances

    SciTech Connect

    Gorelik, M. L.; Rykovanov, V. S.; Urin, M. G.

    2010-12-15

    Within a semimicroscopic approach, basic relaxation parameters of the isobaric analog resonance and of the charge-exchange giant monopole resonance, which is an overtone of the isobaric analog resonance, are interpreted in terms of the mean Coulomb field of a nucleus. The continuum version of the random-phase approximation, allowance for an approximate isospin conservation in nuclei in an explicit form, and a phenomenological description of the fragmentation effect are basic ingredients of the approach used. The aforementioned parameters were calculated for a number of magic and near-magic nuclei by using a partly self-consistent phenomenological nuclear mean field and the isovector part of the Landau-Migdal interaction in the particle-hole channel. The results of the calculations are compared with corresponding experimental data.

  16. Dependence of the isobaric specific heat capacity of water vapor on the pressure and temperature

    NASA Astrophysics Data System (ADS)

    Vestfálová, Magda; Šafařík, Pavel

    2016-03-01

    The fundamental base for the calculation of the thermodynamic properties of substances is the thermal equation of state and the dependence of some of the basic specific heat capacities on temperature. Dependence of isobaric specific heat capacity on the pressure can already be deduced from these relations. International standards of the properties of water and steam are based on the new scientific formulation IAPWS-95. The equation is in the form of Helmholtz dimensionless function with very much parameters. The aim of this paper is to design the simple dependence of the isobaric specific heat capacity of water vapor on the pressure and temperature in the range in which the steam occurs in the atmospheric moist air.

  17. Resonance ionization mass spectrometric study of the promethium/samarium isobaric pair

    SciTech Connect

    Shaw, R.W.; Young, J.P.; Smith, D.H.

    1988-01-01

    Samarium daughters are problematic in isotope ratio measurements of promethium because they are isobaric. Resonance ionization mass spectrometry was utilized to circumvent this problem. An ionization selectivity factor of at least 1000:1 has been measured for promethium over samarium at 584.6 nm. Resonance ionization spectra have been recorded for both elements over the 528-560 and 580-614 nm wavelength ranges.

  18. A regression model for calculating the boiling point isobars of tetrachloromethane-based binary solutions

    NASA Astrophysics Data System (ADS)

    Preobrazhenskii, M. P.; Rudakov, O. B.

    2016-01-01

    A regression model for calculating the boiling point isobars of tetrachloromethane-organic solvent binary homogeneous systems is proposed. The parameters of the model proposed were calculated for a series of solutions. The correlation between the nonadditivity parameter of the regression model and the hydrophobicity criterion of the organic solvent is established. The parameter value of the proposed model is shown to allow prediction of the potential formation of azeotropic mixtures of solvents with tetrachloromethane.

  19. Coupled-channel treatment of Isobaric Analog Resonances in (p,p') Capture Processes

    SciTech Connect

    Thompson, I J; Arbanas, Goran

    2013-01-01

    With the advent of nuclear reactions on unstable isotopes, there has been a renewed interest in using isobaric analogue resonances (IAR) as a tool for probing the nuclear structure. The position and width of isobaric analogue resonances in nucleon-nucleus scattering are accurate and detailed indicators of the positions of resonances and bound states with good single-particle characters. We report on implementation within our coupled-channels code FRESCO of the charge-exchange interaction term that transforms an incident proton into a neutron. Isobaric analog resonances are seen as peaks in gamma-ray spectrum when the proton is transformed into a neutron at an energy near a neutron bound state. The Lane coupled-channels formalism was extended to follow the nonorthogonality of this neutron channel with that configuration of an inelastic outgoing proton, and the target being left in a particle-hole excited state. This is tested for 208Pb, for which good (p,p g)

  20. Coupled-channel Treatment of Isobaric Analog Resonances in (p,p‧) Capture Processes

    NASA Astrophysics Data System (ADS)

    Thompson, I. J.; Arbanas, G.

    2014-04-01

    With the advent of nuclear reactions on unstable isotopes, there has been a renewed interest in using isobaric analogue resonances (IAR) as a tool for probing the nuclear structure. The position and width of isobaric analogue resonances in nucleon-nucleus scattering are accurate and detailed indicators of the positions of resonances and bound states with good single-particle characters. We report on implementation within our coupled-channels code FRESCO of the charge-exchange interaction term that transforms an incident proton into a neutron. Isobaric analog resonances are seen as peaks in γ-ray spectrum when the proton is transformed into a neutron at an energy near a neutron bound state. The Lane coupled-channels formalism was extended to follow the non-orthogonality of this neutron channel with that configuration of an inelastic outgoing proton, and the target being left in a particle-hole excited state. This is tested for 208Pb, for which good (p,p'γ) coincidence data exists.

  1. [Nursing Care of Lumbar Spine Fusion Surgery Using a Semi-Rigid Device (ISOBAR)].

    PubMed

    Wu, Meng-Shan; Su, Shu-Fen

    2016-04-01

    Aging frequently induces degenerative changes in the spine. Patients who suffer from lumbar degenerative disease tend to have lower back pain, neurological claudication, and neuropathy. Furthermore, incontinence may be an increasing issue as symptoms become severe. Lumbar spine fusion surgery is necessary if clinical symptoms continue to worsen or if the patient fails to respond to medication, physical therapy, or alternative treatments. However, this surgical procedure frequently induces adjacent segment disease (ASD), which is evidenced by the appearance of pathological changes in the upper and lower sections of the spinal surgical sites. In 1997, ISOBAR TTL dynamic rod stabilization was developed for application in spinal fusion surgery to prevent ASD-related complications. The device has proven effective in reducing pain in the lower back and legs, decreasing functional disability, improving quality of life, and retarding disc degeneration. However, the effectiveness of this intervention in decreasing the incidence of ASD requires further research investigation, and relevant literature and research in Taiwan is still lacking. This article discusses lumbar degenerative disease, its indications, the contraindications of lumbar spine fusion surgery using ISOBAR, and related postoperative nursing care. We hope this article provides proper and new knowledge to clinical nurses for the care of patients undergoing lumbar spine fusion surgery with ISOBAR. PMID:27026564

  2. Relative protein quantification by isobaric SILAC with immonium ion splitting (ISIS).

    PubMed

    Colzani, Mara; Schütz, Frédéric; Potts, Alexandra; Waridel, Patrice; Quadroni, Manfredo

    2008-05-01

    Metabolic labeling techniques have recently become popular tools for the quantitative profiling of proteomes. Classical stable isotope labeling with amino acids in cell cultures (SILAC) uses pairs of heavy/light isotopic forms of amino acids to introduce predictable mass differences in protein samples to be compared. After proteolysis, pairs of cognate precursor peptides can be correlated, and their intensities can be used for mass spectrometry-based relative protein quantification. We present an alternative SILAC approach by which two cell cultures are grown in media containing isobaric forms of amino acids, labeled either with 13C on the carbonyl (C-1) carbon or 15N on backbone nitrogen. Labeled peptides from both samples have the same nominal mass and nearly identical MS/MS spectra but generate upon fragmentation distinct immonium ions separated by 1 amu. When labeled protein samples are mixed, the intensities of these immonium ions can be used for the relative quantification of the parent proteins. We validated the labeling of cellular proteins with valine, isoleucine, and leucine with coverage of 97% of all tryptic peptides. We improved the sensitivity for the detection of the quantification ions on a pulsing instrument by using a specific fast scan event. The analysis of a protein mixture with a known heavy/light ratio showed reliable quantification. Finally the application of the technique to the analysis of two melanoma cell lines yielded quantitative data consistent with those obtained by a classical two-dimensional DIGE analysis of the same samples. Our method combines the features of the SILAC technique with the advantages of isobaric labeling schemes like iTRAQ. We discuss advantages and disadvantages of isobaric SILAC with immonium ion splitting as well as possible ways to improve it. PMID:18165257

  3. Getting Freshman in Equilibrium.

    ERIC Educational Resources Information Center

    Journal of Chemical Education, 1983

    1983-01-01

    Various aspects of chemical equilibrium were discussed in six papers presented at the Seventh Biennial Conference on Chemical Education (Stillwater, Oklahoma 1982). These include student problems in understanding hydrolysis, helping students discover/uncover topics, equilibrium demonstrations, instructional strategies, and flaws to kinetic…

  4. Three-pion exchange nucleon-nucleon potentials with virtual Δ -isobar excitation

    NASA Astrophysics Data System (ADS)

    Kaiser, N.

    2015-08-01

    The nucleon-nucleon interaction arising from the exchange of three pions and the excitation of Δ (1232 ) isobars in intermediate states is studied. Approximating the Δ propagator by the inverse Δ N mass-splitting, analytical expressions are derived for the spectral functions of the isoscalar and isovector central, spin-spin, and tensor N N potentials in momentum-space. A translation of the spectral functions into coordinate-space potentials reveals that the main effect of these specific exchange and excitation mechanisms is a repulsive isoscalar central N N potential.

  5. Coefficients of the isobaric mass equation and their correlations with various nuclear parameters

    SciTech Connect

    Britz, J.; Pape, A.; Antony, M.S.

    1998-05-01

    The coefficients of the isobaric multiplet mass equation M = a + bT{sub z} + cT{sub z}{sup 2} have been calculated for the 430 identified T = 1/2, 1, 3/2, 2 multiplets and correlations of its b, c coefficients with various nuclear parameters have been sought. For most mass numbers A there is a tendency for b to increase, and for c to decrease, with the average excitation energy of the multiplet. There seems to be no separate dependence of b or c on spin, but there could be a dependence of b on parity.

  6. Isobaric thermal expansivity and isothermal compressibility of several nonsaturated hydrocarbons at 298.15 K

    SciTech Connect

    Aicart, E.; Junquera, E.; Letcher, T.M.

    1995-11-01

    The isobaric thermal expansivity and the isothermal compressibility have been measured at 298.15 K for several nonsaturated hydro bons: 1-hexene, 1-hexyne, 1-heptene, 1-heptyne, 1-octene, 1-octyne, o-xylene, m-xylene, p-xylene, and mesitylene (1,3,5-trimethylbenzene). The results, together with previous data from their laboratory, are discussed in terms of the chain length of the hydrocarbons, the degree of unsaturation (-ane, -ene, -yne), the degree of methylation, and the position of the methyl groups on the aromatic ring.

  7. Preprocessing significantly improves the peptide/protein identification sensitivity of high-resolution isobarically labeled tandem mass spectrometry data.

    PubMed

    Sheng, Quanhu; Li, Rongxia; Dai, Jie; Li, Qingrun; Su, Zhiduan; Guo, Yan; Li, Chen; Shyr, Yu; Zeng, Rong

    2015-02-01

    Isobaric labeling techniques coupled with high-resolution mass spectrometry have been widely employed in proteomic workflows requiring relative quantification. For each high-resolution tandem mass spectrum (MS/MS), isobaric labeling techniques can be used not only to quantify the peptide from different samples by reporter ions, but also to identify the peptide it is derived from. Because the ions related to isobaric labeling may act as noise in database searching, the MS/MS spectrum should be preprocessed before peptide or protein identification. In this article, we demonstrate that there are a lot of high-frequency, high-abundance isobaric related ions in the MS/MS spectrum, and removing isobaric related ions combined with deisotoping and deconvolution in MS/MS preprocessing procedures significantly improves the peptide/protein identification sensitivity. The user-friendly software package TurboRaw2MGF (v2.0) has been implemented for converting raw TIC data files to mascot generic format files and can be downloaded for free from https://github.com/shengqh/RCPA.Tools/releases as part of the software suite ProteomicsTools. The data have been deposited to the ProteomeXchange with identifier PXD000994. PMID:25435543

  8. An approach for triplex-isobaric peptide termini labeling (triplex-IPTL).

    PubMed

    Koehler, Christian J; Arntzen, Magnus Ø; de Souza, Gustavo Antonio; Thiede, Bernd

    2013-02-19

    Isobaric peptide termini labeling (IPTL) is based on labeling of both peptide termini with complementary isotopic labels resulting in isobaric peptides. MS/MS analysis after IPTL derivatization produces peptide-specific fragment ions which are distributed throughout the MS/MS spectrum. Thus, several quantification points can be obtained per peptide. In this report, we present triplex-IPTL, a chemical labeling strategy for IPTL allowing the simultaneous quantification of three states within one MS run. For this purpose, dimethylation of the N-terminal amino group followed by dimethylation of lysines was used with different stable isotopes of formaldehyde and cyanoborohydride. Upon LC-MS/MS analysis, the combined samples revealed three corresponding isotopic fragment ion series reflecting quantitatively the peptide ratios. To support this multiplexing labeling strategy, we have further developed the data analysis tool IsobariQ and included multidimensional VSN normalization, statistical inference, and graphical visualization of triplex-IPTL data and clustering of protein profiling patterns. The power of the triplex-IPTL approach in combination with IsobariQ was demonstrated through temporal profiling of HeLa cells incubated with the kinesin Eg5 inhibitor S-Trityl-l-cysteine (STLC). As a result, clusters of quantified proteins were found by their ratio profiles which corresponded well to their gene ontology association in mitotic arrest and cell death, respectively. PMID:23316706

  9. Breakdown of the Isobaric Multiplet Mass Equation for the A =20 and 21 Multiplets

    NASA Astrophysics Data System (ADS)

    Gallant, A. T.; Brodeur, M.; Andreoiu, C.; Bader, A.; Chaudhuri, A.; Chowdhury, U.; Grossheim, A.; Klawitter, R.; Kwiatkowski, A. A.; Leach, K. G.; Lennarz, A.; Macdonald, T. D.; Schultz, B. E.; Lassen, J.; Heggen, H.; Raeder, S.; Teigelhfer, A.; Brown, B. A.; Magilligan, A.; Holt, J. D.; Menndez, J.; Simonis, J.; Schwenk, A.; Dilling, J.

    2014-08-01

    Using the Penning trap mass spectrometer TITAN, we performed the first direct mass measurements of Mg20,21, isotopes that are the most proton-rich members of the A =20 and A=21 isospin multiplets. These measurements were possible through the use of a unique ion-guide laser ion source, a development that suppressed isobaric contamination by 6 orders of magnitude. Compared to the latest atomic mass evaluation, we find that the mass of Mg21 is in good agreement but that the mass of Mg20 deviates by 3?. These measurements reduce the uncertainties in the masses of Mg20,21 by 15 and 22 times, respectively, resulting in a significant departure from the expected behavior of the isobaric multiplet mass equation in both the A =20 and A=21 multiplets. This presents a challenge to shell model calculations using either the isospin nonconserving universal sd USDA and USDB Hamiltonians or isospin nonconserving interactions based on chiral two- and three-nucleon forces.

  10. The MR-TOF-MS isobar separator for the TITAN facility at TRIUMF

    NASA Astrophysics Data System (ADS)

    Jesch, Christian; Dickel, Timo; Plaß, Wolfgang R.; Short, Devin; Ayet San Andres, Samuel; Dilling, Jens; Geissel, Hans; Greiner, Florian; Lang, Johannes; Leach, Kyle G.; Lippert, Wayne; Scheidenberger, Christoph; Yavor, Mikhail I.

    2015-11-01

    At TRIUMF's Ion Trap for Atomic and Nuclear Science (TITAN) a multiple-reflection time-of-flight mass spectrometer (MR-TOF-MS) will extend TITAN's capabilities and facilitate mass measurements and in-trap decay spectroscopy of exotic nuclei that so far have not been possible due to strong isobaric contamination. This MR-TOF-MS will also enable mass measurements of very short-lived nuclides (half-life > 1 ms) that are produced in very low quantities (a few detected ions overall). In order to allow the installation of an MR-TOF-MS in the restricted space on the platform, on which the TITAN facility is located, novel mass spectrometric methods have been developed. Transport, cooling and distribution of the ions inside the device is done using a buffer gas-filled RFQ-based ion beam switchyard. Mass selection is achieved using a dynamic retrapping technique after time-of-flight analysis in an electrostatic isochronous reflector system. Only due to the combination of these novel methods the realization of an MR-TOF-MS based isobar separator at TITAN has become possible. The device has been built, commissioned off-line and is currently under installation at TITAN.

  11. Zr/Nb isobar separation experiment for future 93Zr AMS measurement

    NASA Astrophysics Data System (ADS)

    Lu, W.; Anderson, T.; Bowers, M.; Bauder, W.; Collon, P.; Kutschera, W.; Kashiv, Y.; Lachner, J.; Martschini, M.; Ostdiek, K.; Robertson, D.; Schmitt, C.; Skulski, M.; Steier, P.

    2015-10-01

    93Zr (t1/2 = 1.6 Ma) is mostly produced by the main s-process in low-to-intermediate mass AGB stars. Large uncertainty exists in the current 92Zr(n,γ)93Zr Maxwellian Average cross section. This could have significant impact on nucleosynthesis calculations. Large amounts of 93Zr are also produced in nuclear reactors and pose long-term environmental radioactivity. Hence, measurement of 93Zr by the AMS is important for both fields above. We report here on progress in the development of AMS method to measure 93Zr. Compared with 98 MeV beam energy, Zr/Nb isobar position separation was improved using 155.2 MeV beam energy and Gas-Filled Magnet. Energy loss measurement with increased beam energy inside the detector indicates that higher beam energy can improve isobar energy loss separation. A chemical procedure to reduce the Nb content in Zr samples has been developed and tested. It reduces the 93Nb content by a factor of 1000.

  12. Transverse electron scattering response function of {sup 3}He with {Delta}-isobar degrees of freedom

    SciTech Connect

    Yuan Luping; Efros, Victor D.; Leidemann, Winfried; Tomusiak, Edward L.

    2010-11-15

    A calculation of the {sup 3}He transverse (e,e{sup '}) inclusive response function, R{sub T}, which includes {Delta} degrees of freedom, is performed using the Lorentz integral transform method. The resulting coupled equations are treated in impulse approximation, where the NNN and NN{Delta} channels are solved separately. As NN and NNN potentials, we use the Argonne V18 and Urbana IX models, respectively. Electromagnetic currents include the {Delta}-isobar currents, one-body N currents with relativistic corrections, and two-body currents consistent with the Argonne V18 potential. R{sub T} is calculated for the breakup threshold region at momentum transfers near 900 MeV/c. Our results are similar to those of Deltuva et al. in that large {Delta}-isobar current contributions are found. However, we find that these are largely canceled by the relativistic contribution from the one-body N currents. Finally, a comparison is made between theoretical results and experimental data.

  13. Two-proton decay from Isobaric Analog States of light nuclei

    NASA Astrophysics Data System (ADS)

    Brown, Kyle

    2014-03-01

    Recent experiments at the National Superconducting Cyclotron Laboratory at Michigan State University using the charged-particle array HiRA and the gamma-ray array CAESAR have shed light on a new class of two-proton emitters associated with Isobaric Analog States (IAS). The two-proton decay is to the Isobaric Analog state of the daughter, which then gamma decays. These isospin-allowed transitions occur when one-proton decays are forbidden by either energy or isospin conservation, and when two-proton decay to the ground state is isospin forbidden. Three possible examples of this decay path will be discussed (8BIAS, 12NIAS, and 16FIAS) . The known IAS of 8C in 8B was confirmed to decay by two-proton emission to the 3.56 MeV IAS in 6Li. While the IAS in 8B was previously known, it was measured in this experiment with unbiased statistics and in coincidence with the 3.56 MeV gamma-ray. The IAS in 16F was investigated for the first time in this experiment and is still under investigation. Previous work on the IAS of 12O in 12N at the Cyclotron Institute at Texas A&M will also be presented.

  14. Chemical Principles Revisited: Chemical Equilibrium.

    ERIC Educational Resources Information Center

    Mickey, Charles D.

    1980-01-01

    Describes: (1) Law of Mass Action; (2) equilibrium constant and ideal behavior; (3) general form of the equilibrium constant; (4) forward and reverse reactions; (5) factors influencing equilibrium; (6) Le Chatelier's principle; (7) effects of temperature, changing concentration, and pressure on equilibrium; and (8) catalysts and equilibrium. (JN)

  15. TEA: Thermal Equilibrium Abundances

    NASA Astrophysics Data System (ADS)

    Blecic, Jasmina; Harrington, Joseph; Bowman, M. Oliver

    2015-05-01

    TEA (Thermal Equilibrium Abundances) calculates gaseous molecular abundances under thermochemical equilibrium conditions. Given a single T,P point or a list of T,P pairs (the thermal profile of an atmosphere) and elemental abundances, TEA calculates mole fractions of the desired molecular species. TEA uses 84 elemental species and thermodynamical data for more then 600 gaseous molecular species, and can adopt any initial elemental abundances.

  16. Computing Equilibrium Chemical Compositions

    NASA Technical Reports Server (NTRS)

    Mcbride, Bonnie J.; Gordon, Sanford

    1995-01-01

    Chemical Equilibrium With Transport Properties, 1993 (CET93) computer program provides data on chemical-equilibrium compositions. Aids calculation of thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93/PC is version of CET93 specifically designed to run within 640K memory limit of MS-DOS operating system. CET93/PC written in FORTRAN.

  17. Polymorphs of 1,1-diamino-2,2-dinitroethene (FOX-7): Isothermal compression versus isobaric heating

    NASA Astrophysics Data System (ADS)

    Dreger, Z. A.; Tao, Y.; Gupta, Y. M.

    2013-10-01

    Raman spectroscopy was used to examine polymorphic changes in 1,1-diamino-2,2-dinitroethene (FOX-7) single crystals under: isothermal compression to 15 GPa and isobaric heating to 500 K. Changes in the Raman spectra were observed at ˜2.0 and ˜4.5 GPa, and at ˜390 K and ˜450 K. These onsets are in general accord with previously reported onsets from IR measurements under isothermal compression and from X-ray diffraction measurements under isobaric heating, respectively. In contrast to recent suggestions, we show that the high pressure polymorphs have different vibrational structures, and likely different crystal structures, than the high temperature polymorphs.

  18. Calorimeter for measuring the isobaric specific heat capacity of fluids and fluid mixtures by the thermal relaxation method

    SciTech Connect

    Tanaka, K.; Uematsu, M.

    2006-03-15

    We present a new calorimeter for measuring the isobaric specific heat capacity for fluids and fluid mixtures based on the thermal relaxation method. The calorimeter, which is equipped with a metal bellows, works in the temperature range from 250 to 500 K at pressures up to 20 MPa and is designed to satisfy the conditions of a lumped system. The calorimeter was calibrated using water and toluene. The isobaric specific heat capacity of methanol was measured at 323.15 K and 0.1 MPa, which confirms the reliability of the calorimeter. The uncertainty is estimated to be within 2.9% at a 95% confidence level.

  19. Nonisothermal filaments in equilibrium

    NASA Astrophysics Data System (ADS)

    Recchi, S.; Hacar, A.; Palestini, A.

    2013-10-01

    Context. The physical properties of the so-called Ostriker isothermal filament have been classically used as a benchmark to interpret the stability of the filaments observed in nearby clouds. However, recent continuum studies have shown that the internal structure of the filaments depart from the isothermality, typically exhibiting radially increasing temperature gradients. Aims: The presence of internal temperature gradients within filaments suggests that the equilibrium configuration of these objects should be therefore revisited. The main goal of this work is to theoretically explore how the equilibrium structure of a filament changes in a nonisothermal configuration. Methods: We solve the hydrostatic equilibrium equation by assuming temperature gradients similar to those derived from observations. Results: We obtain a new set of equilibrium solutions for nonisothermal filaments with both linear and asymptotically constant temperature gradients. For sufficiently large internal temperature gradients, our results show that a nonisothermal filament could present significantly larger masses per unit length and shallower density profiles than the isothermal filament without collapsing by its own gravity. Conclusions: We conclude that filaments can reach an equilibrium configuration under nonisothermal conditions. Detailed studies of both the internal mass distribution and temperature gradients within filaments are then needed to judge the physical state of filaments.

  20. Equilibrium games in networks

    NASA Astrophysics Data System (ADS)

    Li, Angsheng; Zhang, Xiaohui; Pan, Yicheng; Peng, Pan

    2014-12-01

    It seems a universal phenomenon of networks that the attacks on a small number of nodes by an adversary player Alice may generate a global cascading failure of the networks. It has been shown (Li et al., 2013) that classic scale-free networks (Barabsi and Albert, 1999, Barabsi, 2009) are insecure against attacks of as small as O(logn) many nodes. This poses a natural and fundamental question: Can we introduce a second player Bob to prevent Alice from global cascading failure of the networks? We proposed a game in networks. We say that a network has an equilibrium game if the second player Bob has a strategy to balance the cascading influence of attacks by the adversary player Alice. It was shown that networks of the preferential attachment model (Barabsi and Albert, 1999) fail to have equilibrium games, that random graphs of the Erds-Rnyi model (Erds and Rnyi, 1959, Erds and Rnyi, 1960) have, for which randomness is the mechanism, and that homophyly networks (Li et al., 2013) have equilibrium games, for which homophyly and preferential attachment are the underlying mechanisms. We found that some real networks have equilibrium games, but most real networks fail to have. We anticipate that our results lead to an interesting new direction of network theory, that is, equilibrium games in networks.

  1. A new gas lesion syndrome in man, induced by 'isobaric gas counterdiffusion'

    NASA Technical Reports Server (NTRS)

    Lambertsen, C. J.; Idicula, J.

    1975-01-01

    Normal men have been found to develop pruritis and gas bubble lesions in the skin, and disruption of vestibular function, when breathing nitrogen or neon with oxygen while surrounded by helium at increased ambient pressure. This phenomenon, which occurs at stable ambient pressures, at 1 or many ATA, has been designated the isobaric gas counterdiffusion syndrome. In a series of analyses and experiments in vivo and in vitro the cause of the syndrome has been established as due to gas accumulation and development of gas bubbles in tissues as a result of differences in selective diffusivities, for various respired and ambient gases, in the tissue substances between capillary blood and the surrounding atmosphere. The phenomenon described in man is an initial stage of a process shown later in animals to progress to continuous, massive, lethal, intravascular gas embolization.

  2. Discrimination of isobaric Leu/Ile residues by MALDI in-source decay mass spectrometry.

    PubMed

    Asakawa, Daiki; Smargiasso, Nicolas; De Pauw, Edwin

    2013-02-01

    MALDI in-source decay (ISD) has been used for top-down sequencing of proteins. The use of the matrix 1,5-diaminonapthalene (1,5-DAN) gave abundant w ions, which are formed from the unimolecular dissociation of z• radical fragments via α cleavage reaction and thus help identify which of the isobaric amino acids, Leu or Ile, is present. The high abundance of w ions in MALDI-ISD with 1,5-DAN results from the low collision rate in the MALDI plume. MALDI-ISD with 1,5-DAN appears to be an useful method for the top-down sequencing of proteins, including discrimination of Leu and Ile near the C-terminal end. PMID:23307320

  3. Isobar channels in the production of π+π- pairs on a proton by virtual photons

    SciTech Connect

    Burkert, V D; Mokeev, V I; Shvedunov, N V; Boluchevskii, A A; Battaglieri, M; Golovach, E N; Elouardrhiri, L; Joo, K; Isupov, E L; Ishkhanov, B S; Markov, N S; Ripani, M; Ricco, J; Sapunenko, V V; Taiuti, M; Fedotov, G V

    2007-03-01

    A new approach is developed for evaluating contributions of various isobar channels to the double charged-pion production in the reactions γ r,v p → π + π - p. This approach makes it possible to determine both respective cross sections and amplitudes for quasi-two-particle channels from a fit to data on cross sections for a three-particle final state. The diffractive anzatz, which is widely used to describe rho-meson production, is modified to meet the purpose of the description of data in the near-threshold and subthreshold regions. The cross sections for rho-meson electroproduction in the energy region of nucleon-resonance excitation are determined for the first time on the basis of the latest data of the CLAS Collaboration.

  4. Discrimination of Isobaric Leu/Ile Residues by MALDI In-Source Decay Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Asakawa, Daiki; Smargiasso, Nicolas; De Pauw, Edwin

    2013-02-01

    MALDI in-source decay (ISD) has been used for top-down sequencing of proteins. The use of the matrix 1,5-diaminonapthalene (1,5-DAN) gave abundant w ions, which are formed from the unimolecular dissociation of z• radical fragments via α cleavage reaction and thus help identify which of the isobaric amino acids, Leu or Ile, is present. The high abundance of w ions in MALDI-ISD with 1,5-DAN results from the low collision rate in the MALDI plume. MALDI-ISD with 1,5-DAN appears to be an useful method for the top-down sequencing of proteins, including discrimination of Leu and Ile near the C-terminal end.

  5. The Defect Diffusion Model and Isochoric Energy and Isobaric Enthalpy for Glass Formers

    NASA Astrophysics Data System (ADS)

    Shlesinger, Michael; Bendler, John; Fontanella, John; Wintersgill, Mary

    2009-03-01

    The defect diffusion model produces stretched exponential relaxation, in supercooled liquids, through the sub-diffusive motion of defects. The aggregation of the defects produces a Vogel-Fulcher type law for the divergence of the time scale at a critical temperature. The model is employed to calculate the ratio of the apparent isochoric activation energy to the isobaric activation enthalpy, EV*/H* or EV/EP,. This ratio measures the relative sensitivity of kinetic processes to changes in volume and temperature respectively. This ratio equation is tested using dielectric relaxation data for poly(vinyl acetate), viscosity data for glycerol and ionic conductivity data for poly(propylene glycol) containing LiCF3SO3. Good agreement between theory and experiment is found using model parameters previously published.

  6. An ion guide laser ion source for isobar-suppressed rare isotope beams

    SciTech Connect

    Raeder, Sebastian Ames, Friedhelm; Bishop, Daryl; Bricault, Pierre; Kunz, Peter; Mjøs, Anders; Heggen, Henning; Institute of Applied Physics, TU Darmstadt, Schlossgartenstr. 7, 64289 Darmstadt ; Lassen, Jens Teigelhöfer, Andrea; Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2

    2014-03-15

    Modern experiments at isotope separator on-line (ISOL) facilities like ISAC at TRIUMF often depend critically on the purity of the delivered rare isotope beams. Therefore, highly selective ion sources are essential. This article presents the development and successful on-line operation of an ion guide laser ion source (IG-LIS) for the production of ion beams free of isobaric contamination. Thermionic ions from the hot ISOL target are suppressed by an electrostatic potential barrier, while neutral radio nuclides effusing out are resonantly ionized by laser radiation within a quadrupole ion guide behind this barrier. The IG-LIS was developed through detailed thermal and ion optics simulation studies and off-line tests with stable isotopes. In a first on-line run with a SiC target a suppression of surface-ionized Na contaminants in the ion beam of up to six orders of magnitude was demonstrated.

  7. Weather maps classification over Greek domain based on isobaric line patterns. A pattern recognition approach

    NASA Astrophysics Data System (ADS)

    Zagouras, Athanassios; Argiriou, Athanassios A.; Economou, George; Fotopoulos, Spiros; Flocas, Helena A.

    2013-11-01

    The paper presents a semi-supervised weather classification method based on 850-hPa isobaric level maps. A preprocessing step is employed, where isolines of geopotential height are extracted from weather map images via an image processing procedure. Α feature extraction stage follows where two techniques are applied. The first technique implements phase space reconstruction, and yields multidimensional delay distributions. The second technique is based on chain code representation of signals, from which histogram features are derived. Similarity measures are used to compare multidimensional data and the k-means algorithm is applied in the final stage. The method is applied over the area of Greece, and the resulting catalogues are compared to a subjective classification for this area. Numerical experiments with datasets derived from the European Meteorological Bulletin archives exhibit an up to 91 % accurate agreement with the subjective weather patterns.

  8. The current status of Zr-Nb isobar separation experiments for future 93Zr AMS measurement

    NASA Astrophysics Data System (ADS)

    Lu, Wenting; Collon, Philippe; Kashiv, Yoav; Robertson, Daniel; Schmitt, Christopher; Bowers, Matthew; Ostdiek, Karen; Bauder, William

    2013-10-01

    The rare isotope 93Zr (t1/2 = 1.6 Ma) can be produced (1) in the s-process, (2) by the spontaneous fission of Uranium and Plutonium, and (3) by the activation of cladding Zr in nuclear reactors. The production method (1) makes it relevant in astrophysical modeling of nucleosynthesis processes, while (2) and (3) makes it of interest to people dealing with nuclear waste management and transmutation study. The main challenge in AMS detection of 93Zr is the adequate separation from its stable isobar 93Nb which is only one atomic number away. The nuclear Science Laboratory at the University of Notre Dame is developing the capability to measure 93Zr by AMS, featuring the combination of gas-filled magnet with the position-sensitive parallel grid avalanche counter and gas chamber (ionization chamber and Bragg curve detector). The chemical reduction and the suppression in the ion source of 93Nb have been deemed as necessary.

  9. A Precise, Simple, and Low-Cost Experiment to Determine the Isobaric Expansion Coefficient for Physical Chemistry Students

    ERIC Educational Resources Information Center

    Perez, Eduardo

    2015-01-01

    The procedure of a physical chemistry experiment for university students must be designed in a way that the accuracy and precision of the measurements is properly maintained. However, in many cases, that requires costly and sophisticated equipment not readily available in developing countries. A simple, low-cost experiment to determine isobaric

  10. Ultrahigh-temperature metamorphism under isobaric heating: New evidence from the North China Craton

    NASA Astrophysics Data System (ADS)

    Yang, Qiong-Yan; Santosh, M.; Tsunogae, Toshiaki

    2014-12-01

    The Khondalite Belt within Inner Mongolia Suture Zone (IMSZ) in the North China Craton (NCC) preserves evidence for extreme crustal metamorphism under ultra-high temperature (UHT) conditions at ca. 1.92 Ga, associated with the subduction-collision tectonics between the Yinshan and Ordos Blocks. Here we report a new locality in Hongsigou where cordierite- and spinel-bearing granulites record UHT metamorphism. The prograde, peak, and retrograde mineral assemblages in these pelitic granulites have been identified based on petrography and mineral chemistry as: Bt1 + Grt1 + Sil1 + Kfs1 + Pl1 + Ilm + Qtz1, Grt1 + Sil2 + Kfs2 + Pl2 + Spl + Ilm + Qtz2 + Liq, and Crd + Grt2 + Sil3 + Kfs2 + Pl2 + Ilm + Qtz2 respectively. The peak metamorphic conditions of the pelitic granulite were estimated as 930-1050 °C and 6.5-7.5 kbar based on pseudosection analysis in the system NCKFMASHTO, suggesting extreme thermal metamorphism. We report LA-ICPMS zircon U-Pb data from the granulite which show weighted mean 207Pb/206Pb age of 1881 ± 6.6 Ma, marking the timing of UHT metamorphism. Lu-Hf analyses of the zircons show εHf(t) values within a restricted range of -4.2 to 0.3 and together with Hf model ages, a Paleoproterozoic arc magmatic source is inferred for the detrital zircons. The estimated P-T path for the UHT granulite suggests isobaric heating followed by cooling and decompression along a clockwise trajectory, different from the anti-clockwise P-T paths defined in earlier studies for the 1.92 Ga UHT rocks from the IMSZ. The younger age and the isobaric heating trajectory suggest that the Hongsigou UHT rocks are related to heat input from underplated mafic magmas following continental collision.

  11. N, N-Dimethyl Leucines as Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics

    PubMed Central

    Xiang, Feng; Ye, Hui; Chen, Ruibing; Fu, Qiang; Li, Lingjun

    2010-01-01

    Herein we describe the development and application of a set of novel N, N-dimethyl leucine (DiLeu) 4-plex isobaric tandem mass (MS2) tagging reagents with high quantitation efficacy and greatly reduced cost for neuropeptide and protein analysis. DiLeu reagents serve as attractive alternatives for isobaric tag for relative and absolute quantitation (iTRAQ) and tandem mass tags (TMTs) due to their synthetic simplicity, labeling efficiency and improved fragmentation efficiency. DiLeu reagent resembles the general structure of a tandem mass tag in that it contains an amine reactive group (triazine ester) targeting the N-terminus and ?-amino group of the lysine side-chain of a peptide, a balance group, and a reporter group. A mass shift of m/z 145.1 is observed for each incorporated label. Intense a1 reporter ions at m/z 115.1, 116.1, 117.1, and 118.1 are observed for all pooled samples upon MS2. All labeling reagents are readily synthesized from commercially available chemicals with greatly reduced cost. Labels 117 and 118 can be synthesized in one step and labels 115 and 116 can be synthesized in two steps. Both DiLeu and iTRAQ reagents show comparable protein sequence coverage (~43%) and quantitation accuracy (<15%) for tryptically digested protein samples. Furthermore, enhanced fragmentation of DiLeu labeling reagents offers greater confidence in protein identification and neuropeptide sequencing from complex neuroendocrine tissue extracts from a marine model organism, Callinectes sapidus. PMID:20218596

  12. Intrathecal hyperbaric versus isobaric bupivacaine for adult non-caesarean-section surgery: systematic review protocol

    PubMed Central

    Uppal, Vishal; Shanthanna, Harsha; Prabhakar, Christopher; McKeen, Dolores M

    2016-01-01

    Introduction Bupivacaine is the most commonly used local anaesthetic for spinal anaesthesia (SA). There are two forms of commercially available bupivacaine; isobaric bupivacaine (IB): a formulation with a specific gravity or density equal to cerebrospinal fluid, and hyperbaric bupivacaine (HB): a formulation with density heavier than cerebrospinal fluid. The difference in densities of the two available preparations is believed to affect the diffusion pattern that determines the effectiveness, spread and side-effect profile of bupivacaine. This systematic review will summarise the best available evidence regarding the effectiveness and safety on the use of HB compared with IB, when used to provide SA for surgery. Primarily, we will analyse the need for conversion to general anaesthesia. As secondary outcomes, we will compare the incidence of hypotension, incidence of nausea/vomiting, the onset time and duration of anaesthesia. Methods and analysis We will search key electronic databases using search strategy (1) injections, spinal OR intrathecal OR subarachnoid; (2) bupivacaine OR levobupivacaine; (3) hypobaric OR isobaric OR plain; (4) baricity. We will search MEDLINE, EMBASE and Cochrane databases, from their inception for randomised controlled trials, with no restrictions on language. Caesarean section surgery will be excluded. 2 reviewers will independently extract the data using a standardised form. Extracted items will include study characteristics, risk of bias domains, as per modified Cochrane risk of bias, participant disposition and study outcomes. We will conduct a meta-analysis for variables that can be compared across the studies. We will evaluate clinical heterogeneity by qualitatively appraising differences in study characteristics in participants, interventions and the outcomes assessed. We will report our findings as relative risks (dichotomous), and weighted mean differences (continuous) for individual outcomes, along with their 95% CIs. Ethics and dissemination We plan to submit, and will publish, our findings in a peer-reviewed scientific journal, and present our results at national and international meetings. Trial registration number CRD42015017672. PMID:27194318

  13. Beyond Equilibrium Thermodynamics

    NASA Astrophysics Data System (ADS)

    Öttinger, Hans Christian

    2005-01-01

    Beyond Equilibrium Thermodynamics fills a niche in the market by providing a comprehensive introduction to a new, emerging topic in the field. The importance of non-equilibrium thermodynamics is addressed in order to fully understand how a system works, whether it is in a biological system like the brain or a system that develops plastic. In order to fully grasp the subject, the book clearly explains the physical concepts and mathematics involved, as well as presenting problems and solutions; over 200 exercises and answers are included. Engineers, scientists, and applied mathematicians can all use the book to address their problems in modelling, calculating, and understanding dynamic responses of materials.

  14. Vapor-liquid-solid epitaxial growth of Si1-xGex alloy nanowires. Composition dependence on precursor reactivity and morphology control for vertical forests

    SciTech Connect

    Choi, S. G.; Manandhar, P.; Picraux, S. T.

    2015-07-07

    The growth of high-density group IV alloy nanowire forests is critical for exploiting their unique functionalities in many applications. Here, the compositional dependence on precursor reactivity and optimized conditions for vertical growth are studied for Si1- x Ge x alloy nanowires grown by the vapor-liquid-solid method. The nanowire composition versus gas partial-pressure ratio for germane-silane and germane-disilane precursor combinations is obtained at 350°C over a wide composition range (0.05 ≤ x ≤ 0.98) and a generalized model to predict composition for alloy nanowires is developed based on the relative precursor partial pressures and reactivity ratio. In combination with germane, silane provides more precise compositional control at high Ge concentrations (x > 0.7), whereas disilane greatly increases the Si concentration for a given gas ratio and enables more precise alloy compositional control at small Ge concentrations (x < 0.3). Vertically oriented, non-kinking nanowire forest growth on Si (111) substrates is then discussed for silane/germane over a wide range of compositions, with temperature and precursor partial pressure optimized by monitoring the nanowire growth front using in-situ optical reflectance. For high Ge compositions (x ≈ 0.9), a “two-step” growth approach with nucleation at higher temperatures results in nanowires with high-density and uniform vertical orientation. Furthermore, increasing Si content (x ≈ 0.8), the optimal growth window is shifted to higher temperatures, which minimizes nanowire kinking morphologies. For Si-rich Si1- x Ge x alloys (x ≈ 0.25), vertical nanowire growth is enhanced by single-step, higher-temperature growth at reduced pressures.

  15. An Updated Equilibrium Machine

    ERIC Educational Resources Information Center

    Schultz, Emeric

    2008-01-01

    A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are

  16. An Updated Equilibrium Machine

    ERIC Educational Resources Information Center

    Schultz, Emeric

    2008-01-01

    A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are…

  17. Comments on equilibrium, transient equilibrium, and secular equilibrium in serial radioactive decay.

    PubMed

    Prince, J R

    1979-02-01

    Equations describing serial radioactive decay are reviewed along with published descriptions of transient and secular equilibrium. It is shown that terms describing equilibrium are not used in the same way by various authors. Specific definitions are proposed; they suggest that secular equilibrium is a subset of transient equilibrium. PMID:430191

  18. Vapor-liquid phase separator studies

    NASA Technical Reports Server (NTRS)

    Yuan, S. W. K.; Lee, J. M.; Kim, Y. I.; Hepler, W. A.; Frederking, T. H. K.

    1983-01-01

    Porous plugs serve as both entropy rejection devices and phase separation components separating the vapor phase on the downstream side from liquid Helium 2 upstream. The liquid upstream is the cryo-reservoir fluid needed for equipment cooling by means of Helium 2, i.e Helium-4 below its lambda temperature in near-saturated states. The topics outlined are characteristic lengths, transport equations and plug results.

  19. An Updated Equilibrium Machine

    NASA Astrophysics Data System (ADS)

    Schultz, Emeric

    2008-08-01

    A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are applied. Equilibrium can be approached from different distributions of balls in the container under different conditions. The Le Chtelier principle can be demonstrated. Kinetic concepts can be demonstrated by changing the nature of the barrier, either changing the height or by having various sized holes in the barrier. Thermodynamic concepts can be demonstrated by taping over some or all of the openings and restricting air flow into container on either side of the barrier.

  20. Absolute Equilibrium Entropy

    NASA Technical Reports Server (NTRS)

    Shebalin, John V.

    1997-01-01

    The entropy associated with absolute equilibrium ensemble theories of ideal, homogeneous, fluid and magneto-fluid turbulence is discussed and the three-dimensional fluid case is examined in detail. A sigma-function is defined, whose minimum value with respect to global parameters is the entropy. A comparison is made between the use of global functions sigma and phase functions H (associated with the development of various H-theorems of ideal turbulence). It is shown that the two approaches are complimentary though conceptually different: H-theorems show that an isolated system tends to equilibrium while sigma-functions allow the demonstration that entropy never decreases when two previously isolated systems are combined. This provides a more complete picture of entropy in the statistical mechanics of ideal fluids.

  1. Equilibrium Electroconvective Instability

    NASA Astrophysics Data System (ADS)

    Rubinstein, I.; Zaltzman, B.

    2015-03-01

    Since its prediction 15 years ago, hydrodynamic instability in concentration polarization at a charge-selective interface has been attributed to nonequilibrium electro-osmosis related to the extended space charge which develops at the limiting current. This attribution had a double basis. On the one hand, it has been recognized that neither equilibrium electro-osmosis nor bulk electroconvection can yield instability for a perfectly charge-selective solid. On the other hand, it has been shown that nonequilibrium electro-osmosis can. The first theoretical studies in which electro-osmotic instability was predicted and analyzed employed the assumption of perfect charge selectivity for the sake of simplicity and so did the subsequent studies of various time-dependent and nonlinear features of electro-osmotic instability. In this Letter, we show that relaxing the assumption of perfect charge selectivity (tantamount to fixing the electrochemical potential of counterions in the solid) allows for the equilibrium electroconvective instability. In addition, we suggest a simple experimental test for determining the true, either equilibrium or nonequilibrium, origin of instability in concentration polarization.

  2. Equilibrium Structure of Piperidine

    NASA Astrophysics Data System (ADS)

    Demaison, Jean; Rudolph, Heinz Dieter; Craig, Norman C.; Ecija, Patricia; Cocinero, Emilio J.; Lesarri, Alberto

    2014-06-01

    In order to determine an accurate equilibrium structure for the equatorial form of piperidine, C_ 5H11N, microwave transitions and ground state rotational constants are reported for the 13C and 15N isotopologues measured in natural abundance. These rotational constants along with those of the parent and ND species were used together with vibration-rotation constants obtained from a cubic force fields calculated at the B3LYP/cc-pVTZ and MP2/cc-pVTZ levels of theory to derive a semiexperimental (SE) equilibrium structure. However, the rotational constants of the CD deuterated species are not available, and there are many small Cartesian coordinates. Furthermore, piperidine is an oblate top. Quite generally, there is a large rotation of the principal axis system upon isotopic substitution in oblate tops that may considerably reduce the accuracy of the SE structure. For these reasons, the mixed estimation method was used. In this method, internal coordinates from good-quality quantum chemical calculations (with appropriate uncertainties) are fitted simultaneously with moments of inertia of the full set of isotopologues. In order to have predicates as accurate as possible, the geometry was optimized at the MP2 and CCSD(T) levels of theory using Dunning basis sets up to quadruple-zeta quality. This combination of experimental rotational constants and high-level ab initio calculations allowed us to determine an accurate equilibrium structure.

  3. Direct atmospheric pressure chemical ionisation ion trap mass spectrometry for aroma analysis: Speed, sensitivity and resolution of isobaric compounds

    NASA Astrophysics Data System (ADS)

    Jublot, Lionel; Linforth, Robert S. T.; Taylor, Andrew J.

    2005-06-01

    Atmospheric pressure chemical ionisation (APCI) sources were developed for real time analysis of volatile release from foods using an ion trap (IT) mass spectrometer (MS). Key objectives were spectral simplicity (minimal fragmentation), response time and signal to noise ratio. The benefits of APCI-IT-MS were assessed by comparing the performance for in vivo and headspace analyses with that obtained using APCI coupled to a quadrupole mass analyser. Using MS-MS, direct APCI-IT-MS was able to differentiate mixtures of some C6 and terpene isobaric aroma compounds. Resolution could be achieved for some compounds by monitoring specific secondary ions. Direct resolution was also achieved with two of the three isobaric compounds released from chocolate with time as the sample was eaten.

  4. Solving isobaric interferences in Secondary Ion Mass Spectrometry: The case of Am and Pu in irradiated thorium-based fuel

    NASA Astrophysics Data System (ADS)

    Portier, S.; Degueldre, C.; Kivel, N.

    2012-07-01

    Secondary Ion Mass Spectrometry (SIMS) is routinely used to provide radial isotopic distribution of actinides in irradiated nuclear fuel samples but the measurements are mainly qualitative because many isobaric interferences remain. A simple method to solve the isobaric interferences between Am and Pu for mass 241 and 242 is proposed in this work. The method is based on isotope ratio measurements currently gained by SIMS. The discussion of the results includes the evaluation of the limit of utilization of this approach as well as the enhancement possibility. The method is applied on thorium-based fuels, which represent a sustainable alternative to the classical uranium-based fuels commonly used in most of power plants around the world.

  5. Optimized proteomic analysis of a mouse model of cerebellar dysfunction using amine-specific isobaric tags.

    PubMed

    Hu, Jun; Qian, Jin; Borisov, Oleg; Pan, Sanqiang; Li, Yan; Liu, Tong; Deng, Longwen; Wannemacher, Kenneth; Kurnellas, Michael; Patterson, Christa; Elkabes, Stella; Li, Hong

    2006-08-01

    Recent proteomic applications have demonstrated their potential for revealing the molecular mechanisms underlying neurodegeneration. The present study quantifies cerebellar protein changes in mice that are deficient in plasma membrane calcium ATPase 2 (PMCA2), an essential neuronal pump that extrudes calcium from cells and is abundantly expressed in Purkinje neurons. PMCA2-null mice display motor dyscoordination and unsteady gait deficits observed in neurological diseases such as multiple sclerosis and ataxia. We optimized an amine-specific isobaric tags (iTRAQ)-based shotgun proteomics workflow for this study. This workflow took consideration of analytical variance as a function of ion signal intensity and employed biological repeats to aid noise reduction. Even with stringent protein identification criteria, we could reliably quantify nearly 1000 proteins, including many neuronal proteins that are important for synaptic function. We identified 21 proteins that were differentially expressed in PMCA2-null mice. These proteins are involved in calcium homeostasis, cell structure and chromosome organization. Our findings shed light on the molecular changes that underlie the neurological deficits observed in PMCA2-null mice. The optimized workflow presented here will be valuable for others who plan to implement the iTRAQ method. PMID:16800037

  6. Aqua ions-graphene interfacial and confinement behavior: Insights from isobaric-isothermal molecular dynamics

    SciTech Connect

    Chialvo, A. A.; Cummings, Peter T.

    2011-06-16

    We carry out a systematic microstructural characterization of the solid–fluid interface (SFI) of water and simple metal chloride aqueous solutions in contact with a free-standing plate or with two such plates separated by an interplate distance 0 ≤ h (Å) ≤ 30 at ambient conditions via isothermal–isobaric molecular dynamics. With this characterization, we target the interrogation of the system in search for answers to fundamental questions regarding the structure of the “external” and “internal” (confined) SFIs, the effect of the differential hydration behavior among species, and its link to species expulsion from confinement. For water at ambient conditions, we found that the structure of the “external” SFIs is independent of the interplate distance h in the range 0 ≤ h (Å) ≤ 30, that is, the absence of wall-mediated correlation effects between “external” and “internal” SFIs, and that for h < 9 Å the slit-pores dewet. Moreover, we observed a selective expulsion of ions caused by the differential hydration between the anion and the cations with a consequent charging of the slit-pore. All these observations were interpreted in terms of the axial profiles for precisely defined order parameters, including tetrahedral configuration, hydrogen bonding, and species coordination numbers.

  7. Proteomic analysis of astrocytic secretion that regulates neurogenesis using quantitative amine-specific isobaric tagging

    SciTech Connect

    Yan, Hu; Zhou, Wenhao; Wei, Liming; Zhong, Fan; Yang, Yi

    2010-01-08

    Astrocytes are essential components of neurogenic niches that affect neurogenesis through membrane association and/or the release of soluble factors. To identify factors released from astrocytes that could regulate neural stem cell differentiation and proliferation, we used mild oxygen-glucose deprivation (OGD) to inhibit the secretory capacity of astrocytes. Using the Transwell co-culture system, we found that OGD-treated astrocytes could not promote neural stem cell differentiation and proliferation. Next, isobaric tagging for the relative and absolute quantitation (iTRAQ) proteomics techniques was performed to identify the proteins in the supernatants of astrocytes (with or without OGD). Through a multi-step analysis and gene ontology classification, 130 extracellular proteins were identified, most of which were involved in neuronal development, the inflammatory response, extracellular matrix composition and supportive functions. Of these proteins, 44 had never been reported to be produced by astrocytes. Using ProteinPilot software analysis, we found that 60 extracellular proteins were significantly altered (27 upregulated and 33 downregulated) in the supernatant of OGD-treated astrocytes. Among these proteins, 7 have been reported to be able to regulate neurogenesis, while others may have the potential to regulate neurogenesis. This study profiles the major proteins released by astrocytes, which play important roles in the modulation of neurogenesis.

  8. Search for isobar-analog states of superheavy hydrogen isotopes5-7He

    NASA Astrophysics Data System (ADS)

    Chernyshev, B. A.; Gurov, Yu B.; Korotkova, L. Yu; Kuznetsov, D. S.; Lapushkin, S. V.; Tel'kushev, M. V.; Schurenkova, T. D.

    2016-02-01

    Search for isobar-analog states (IAS) of superheavy hydrogen isotopes 5-7H was performed among the high-excited states of helium isotopes 5-7He. The excited spectra were measured in stopped pion absorption by light nuclei. The experiment was performed at low energy pion channel of LANL with two-arm multilayer semiconductor spectrometer. Excited states of 5-7He were observed in three-body reaction channels on 10,11B nuclei. Several excited levels were observed for the first time. 6He excited state with Ex = 27.0(8) MeV observed in 10B(π-,pt)X channel is an IAS candidate for 6H with Er ∼ 5.5 MeV. 7He excited state with Ex = 24.8(4) MeV observed in 10B(π-,pd)X, nB(π-,pt)X and nB(π-,dd)X channels is an IAS candidate for 7H with Er ∼ 3 MeV.

  9. Improved Isobaric Tandem Mass Tag Quantification by Ion Mobility-Mass Spectrometry

    PubMed Central

    Li, Lingjun

    2014-01-01

    Isobaric tandem mass tags are an attractive alternative to mass difference tags and label free approaches for quantitative proteomics due to the high degree of multiplexing that can be performed with their implementation. A drawback of tandem mass tags are that the co-isolation and co-fragmentation of labeled peptide precursors can result in chimeric MS/MS spectra that can underestimate the fold-change expression of each peptide. Two methods (QuantMode and MS3) have addressed this concern for ion trap and orbitrap instruments, but there is still a need to solve this problem for quadrupole time-of-flight (Q-TOF) instruments. Ion mobility (IM) separations coupled to Q-TOF instruments have the potential to mitigate MS/MS spectra chimeracy since IM-MS has the ability to separate ions based on charge, m/z, and collision cross section (CCS). This work presents results that showcase the power of IM-MS to improve tandem mass tag peptide quantitation accuracy by resolving co-isolated differently charged and same charged peptides prior to MS/MS fragmentation. PMID:24677527

  10. [Conditions for the development of isobaric counterdiffusion of inert gases and the criteria of its evaluation].

    PubMed

    Semko, V V; Bukharin, A I; Lastochkin, G I; Bardysheva, O F

    1991-01-01

    Investigation of superficial counterdiffusion of nitrogen against helium has been carried out to evaluate a possibility of its progress in divers (107 tests) under pressures equivalent to 32-450 m of sea water when breathing trimix being saturated in heliox at a constant ambient pressure without changing chamber environment. Breathing gas mixture contained 248-800 kPa of nitrogen, while chamber heliox media contained some additions of nitrogen (6-108 kPa). Clinical manifestations of breathing trimix (itching and gas bubble formation) were studied in divers. The development of counterdiffusion depends on the partial pressure of nitrogen not only in the breathing gas mixture but also in the chamber media. The breathing nitrogen level being increased and (or) decreased in the chamber media, the counterdiffusion symptoms grow relative to the number (%) of cases. Minimal critical values of nitrogen partial pressure gradients in the mixture which induce counterdiffusion skin lesions are 260-320 kPa on the average for the nitrogen concentration in the chamber mixture to 30 kPa. Isobaric supersaturation due to inert gases countertransport in body tissues as a result of gas-switching from heliox to trimix is responsible for the syndrome development. PMID:1778254

  11. Excitation energies of double isobar-analog states in heavy nuclei

    SciTech Connect

    Poplavskii, I. V.

    1988-12-01

    Several new relationships are established for isomultiplets on the basis of a theory in which the Coulomb coupling constant (CCC) is allowed to be complex. In particular, the following rule is formulated: the energies for fission or decay of members of an isomultiplet into a charged cluster and members of the corresponding daughter isomultiplet are equidistant. This relationship is well satisfied for isomultiplets with /ital A/less than or equal to60. By extrapolating the rule for fission and decay energies to the region of heavy nuclei, the excitation energies /ital E//sub /ital x// of double isobar-analog states (DIASs) are found for the nuclei /sup 197,199/Hg, /sup 205/Pb, /sup 205 - -209/Po, /sup 209/At, and /sup 238/Pu. A comparison of the computed energies /ital E//sub /ital x// with the experimentally measured values for /sup 208/Po attest to the reliability and good accuracy of the method proposed here when used to determine the excitation energies of DIASs in heavy nuclei.

  12. Mass of astrophysically relevant 31Cl and the breakdown of the isobaric multiplet mass equation

    NASA Astrophysics Data System (ADS)

    Kankainen, A.; Canete, L.; Eronen, T.; Hakala, J.; Jokinen, A.; Koponen, J.; Moore, I. D.; Nesterenko, D.; Reinikainen, J.; Rinta-Antila, S.; Voss, A.; ńystö, J.

    2016-04-01

    The mass of 31Cl has been measured with the JYFLTRAP double-Penning-trap mass spectrometer at the Ion Guide Isotope Separator On-Line (IGISOL) facility. The determined mass-excess value, -7034.7 (34 ) keV, is 15 times more precise than in the Atomic Mass Evaluation 2012. The quadratic form of the isobaric multiplet mass equation for the T =3 /2 quartet at A =31 fails (χn2=11.6 ) and a nonzero cubic term, d =-3.5 (11 ) keV, is obtained when the new mass value is adopted. 31Cl has been found to be less proton-bound, with a proton separation energy of Sp=264.6 (34 ) keV. Energies for the excited states in 31Cl and the photodisintegration rate on 31Cl have been determined with significantly improved precision by using the new Sp value. The improved photodisintegration rate helps to constrain astrophysical conditions where 30S can act as a waiting point in the rapid proton capture process in type-I x-ray bursts.

  13. Fast analysis of isobaric grape anthocyanins by Chip-liquid chromatography/mass spectrometry.

    PubMed

    Flamini, Riccardo; De Rosso, Mirko; Smaniotto, Anna; Panighel, Annarita; Vedova, Antonio Dalla; Seraglia, Roberta; Traldi, Pietro

    2009-09-01

    In a previous work, direct-infusion electrospray ionization ion trap tandem mass spectrometry (ESI-IT-MS/MS) was applied to the study of anthocyanins in extracts from the skins of Clinton grapes, a non-Vitis vinifera red grape variety qualitatively and quantitatively rich in anthocyanins. A good characterization of anthocyaninins was obtained, but it was impossible to differentiate some compounds with the same nominal mass but with different elemental composition. In this work, the capabilities of quadrupole time-of-flight mass spectrometry (QTOF-MS) coupled with Chip-liquid chromatography (LC-Chip) were applied to the study of Clinton anthocyanins and this method provided the complete sample anthocyanin fingerprint in less than 5 min. Multi-stage mass spectrometry (MS(n); n >2) was not necessary to identify isobaric compounds, nor were deuterium-exchange experiments necessary to distinguish between compounds containing the same aglycone. The fast separation bypasses the problem of petunidin-3-O-(6-O-acetyl)monoglucoside and delphinidin-3,5-O-diglucoside quantification, present in the direct-infusion ESI-ITMS approach, due to overlapping with matrix interferences. PMID:19670341

  14. Differentiating Isobaric Steroid Hormone Metabolites Using Multi-Stage Tandem Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Tedmon, Lauren; Barnes, Jeremy S.; Nguyen, Hien P.; Schug, Kevin A.

    2013-03-01

    Steroid hormones and their metabolites are currently undergoing clinical trials as potential therapeutics for traumatic brain injury (TBI). To support this work, it is necessary to develop improved procedures for differentiating isobaric species in this compound class. Equilin sulfate (E-S), estrone sulfate (E1-S), 17α-dihydroequilin sulfate (ADHE-S), and 17β-dihydroequilin sulfate (BDHE-S) are primary constituents in hormone replacement therapies, such as Premarin, which are among pharmaceuticals being investigated for TBI treatment. The latter three compounds are isomers and can be difficult to differentiate in trace analytical determinations. In this work, a systematic study of the fragmentation of ADHE-S, BDHE-S, E1-S, and E-S under different stages of higher order tandem mass spectrometry (MSn) and variation of collision energy, allowed optimization of conditions for distinguishing the isomeric structures. For epimeric variants (e.g., ADHE-S versus BDHE-S; α- versus β-stereoisomerization in the C-17 position), differentiation was achieved at MS4 and fragmentation was demonstrated through MS5. Computational analysis was performed to further explore differences in the fragmentation pathways due to changes in stereochemistry.

  15. The manometric sorptomat—an innovative volumetric instrument for sorption measurements performed under isobaric conditions

    NASA Astrophysics Data System (ADS)

    Kudasik, Mateusz

    2016-03-01

    The present paper discusses the concept of measuring the process of sorption by means of the volumetric method, developed in such a way as to allow measurements performed under isobaric conditions. On the basis of the concept in question, a prototype of a sorption instrument was built: the manometric sorptomat. The paper provides a detailed description of the idea of the instrument, and of the way it works. In order to evaluate the usefulness of the device in sorption measurements carried out under laboratory conditions, comparative studies were conducted, during which the results of sorption measurements obtained with the developed instrument were compared with the results Mateusz obtained with a reference device. The objects of comparison were the sorption capacities of hard coal samples, calculated on the basis of the established courses of the methane sorption process. The results were regarded as compatible if the compared values fell within the range of the measurement uncertainty of the two devices. For the sake of the comparative studies, fifteen granular samples of hard coal—representing the 0.20-0.25 mm grain fraction and coming from various mines of the Upper Silesian Coal Basin—were used. After comparing the results obtained with the original manometric sorptomat with the results obtained with the gravimetric reference device, it was observed that the compatibility of measurements of sorption capacities was over 90%, based on the defined criterion of the measurement compatibility.

  16. Structural design using equilibrium programming

    NASA Technical Reports Server (NTRS)

    Scotti, Stephen J.

    1992-01-01

    Multiple nonlinear programming methods are combined in the method of equilibrium programming. Equilibrium programming theory has been appied to problems in operations research, and in the present study it is investigated as a framework to solve structural design problems. Several existing formal methods for structural optimization are shown to actually be equilibrium programming methods. Additionally, the equilibrium programming framework is utilized to develop a new structural design method. Selected computational results are presented to demonstrate the methods.

  17. Systematic Comparison of Label-Free, Metabolic Labeling, and Isobaric Chemical Labeling for Quantitative Proteomics on LTQ Orbitrap Velos

    SciTech Connect

    Li, Zhou; Adams, Rachel M; Chourey, Karuna; Hurst, Gregory {Greg} B; Hettich, Robert {Bob} L; Pan, Chongle

    2012-01-01

    A variety of quantitative proteomics methods have been developed, including label-free, metabolic labeling, and isobaric chemical labeling using iTRAQ or TMT. Here, these methods were compared in terms of the depth of proteome coverage, quantification accuracy, precision, and reproducibility using a high-performance hybrid mass spectrometer, LTQ Orbitrap Velos. Our results show that (1) the spectral counting method provides the deepest proteome coverage for identification, but its quantification performance is worse than labeling-based approaches, especially the quantification reproducibility; (2) metabolic labeling and isobaric chemical labeling are capable of accurate, precise, and reproducible quantification and provide deep proteome coverage for quantification. Isobaric chemical labeling surpasses metabolic labeling in terms of quantification precision and reproducibility; (3) iTRAQ and TMT perform similarly in all aspects compared in the current study using a CID-HCD dual scan configuration. Based on the unique advantages of each method, we provide guidance for selection of the appropriate method for a quantitative proteomics study.

  18. Influence of multiple scattering and absorption on the full scattering profile and the isobaric point in tissue

    NASA Astrophysics Data System (ADS)

    Duadi, Hamootal; Fixler, Dror

    2015-05-01

    Light reflectance and transmission from soft tissue has been utilized in noninvasive clinical measurement devices such as the photoplethysmograph (PPG) and reflectance pulse oximeter. Incident light on the skin travels into the underlying layers and is in part reflected back to the surface, in part transferred and in part absorbed. Most methods of near infrared (NIR) spectroscopy focus on the volume reflectance from a semi-infinite sample, while very few measure transmission. We have previously shown that examining the full scattering profile (angular distribution of exiting photons) provides more comprehensive information when measuring from a cylindrical tissue. Furthermore, an isobaric point was found which is not dependent on changes in the reduced scattering coefficient. The angle corresponding to this isobaric point depends on the tissue diameter. We investigated the role of multiple scattering and absorption on the full scattering profile of a cylindrical tissue. First, we define the range in which multiple scattering occurs for different tissue diameters. Next, we examine the role of the absorption coefficient in the attenuation of the full scattering profile. We demonstrate that the absorption linearly influences the intensity at each angle of the full scattering profile and, more importantly, the absorption does not change the position of the isobaric point. The findings of this work demonstrate a realistic model for optical tissue measurements such as NIR spectroscopy, PPG, and pulse oximetery.

  19. High-pressure vapor-liquid equilibria for CO[sub 2] + benzonitrile, CO[sub 2] + benzyl alcohol, CO[sub 2] + 2-tert-butylphenol, CO[sub 2] + methoxybenzene, and CO[sub 2] + 1,2,3,4-Tetrahydronaphthalene at temperatures between 313 and 393 K and pressures up to 20 MPa

    SciTech Connect

    Walther, D.; Maurer, G. )

    1993-04-01

    High-pressure vapor-liquid equilibria are reported for CO[sub 2] + benzonitrile, CO[sub 2] + benzyl alcohol, CO[sub 2] + 1-tert-butylphenol, CO[sub 2] + methoxybenzene, and CO[sub 2] + 1,2,3,4-tetrahydronaphthalene at three temperatures from 313 to 393 K and pressures up to 20 MPa. The investigations were made by using a flow-type apparatus. The results for CO[sub 2] + methoxybenzene are compared to literature values. On the other systems no literature values are available.

  20. Principles of the equilibrium theory of small multicomponent systems in three aggregate states

    NASA Astrophysics Data System (ADS)

    Tovbin, Yu. K.

    2015-11-01

    Principles of the molecular statistical theory of small multicomponent drops/microcrystals in a three-dimensional bulk and in two-dimensional adsorption systems are developed. Equations of the theory are derived using the cluster approach. The theory describes discrete distributions of molecules in space (on a size scale comparable to the molecular size) and continuous molecular distributions (at short distances inside cells) upon their translational and vibrational motions. The theory provides a unified description of the equilibrium molecular distributions in three aggregate states and at their interfaces. Pair intermolecular interaction potentials (such as the Mie potential) in several coordination spheres that determine lattice structure compressibility are taken into account. For simplicity, it is considered that the sizes of mixture components are virtually the same. Structural cell distribution functions for the transition region of curved interfaces are derived. Expressions for the pressure tensor components inside small bodies are obtained, allowing us to calculate the thermodynamic characteristics of a vapor-liquid interface, including surface tension. Questions regarding the consistency between the theory of phase transitions in small systems and the traditional theory of associate (cluster) formation and the transition to systems limited in the total volume value are discussed.

  1. MRI analysis of the ISOBAR TTL internal fixation system for the dynamic fixation of intervertebral discs: a comparison with rigid internal fixation

    PubMed Central

    2014-01-01

    Objectives Using magnetic resonance imaging (MRI), we analyzed the efficacy of the posterior approach lumbar ISOBAR TTL internal fixation system for the dynamic fixation of intervertebral discs, with particular emphasis on its effects on degenerative intervertebral disc disease. Methods We retrospectively compared the MRIs of 54 patients who had previously undergone either rigid internal fixation of the lumbar spine or ISOBAR TTL dynamic fixation for the treatment of lumbar spondylolisthesis. All patients had received preoperative and 6-, 12-, and 24-month postoperative MRI scans of the lumbar spine with acquisition of both routine and diffusion-weighted images (DWI). The upper-segment discs of the fusion were subjected to Pfirrmann grading, and the lumbar intervertebral discs in the DWI sagittal plane were manually drawn; the apparent diffusion coefficient (ADC) value was measured. Results ADC values in the ISOBAR TTL dynamic fixation group measured at the 6-, 12-, and 24-month postoperative MRI studies were increased compared to the preoperative ADC values. The ADC values in the ISOBAR TTL dynamic fixation group at 24months postoperatively were significantly different from the preoperative values (P?ISOBAR TTL dynamic fixation group (P?ISOBAR TTL internal fixation system can prevent or delay the degeneration of intervertebral discs. PMID:24898377

  2. Thermal equilibrium of goats.

    PubMed

    Maia, Alex S C; Nascimento, Sheila T; Nascimento, Carolina C N; Gebremedhin, Kifle G

    2016-05-01

    The effects of air temperature and relative humidity on thermal equilibrium of goats in a tropical region was evaluated. Nine non-pregnant Anglo Nubian nanny goats were used in the study. An indirect calorimeter was designed and developed to measure oxygen consumption, carbon dioxide production, methane production and water vapour pressure of the air exhaled from goats. Physiological parameters: rectal temperature, skin temperature, hair-coat temperature, expired air temperature and respiratory rate and volume as well as environmental parameters: air temperature, relative humidity and mean radiant temperature were measured. The results show that respiratory and volume rates and latent heat loss did not change significantly for air temperature between 22 and 26°C. In this temperature range, metabolic heat was lost mainly by convection and long-wave radiation. For temperature greater than 30°C, the goats maintained thermal equilibrium mainly by evaporative heat loss. At the higher air temperature, the respiratory and ventilation rates as well as body temperatures were significantly elevated. It can be concluded that for Anglo Nubian goats, the upper limit of air temperature for comfort is around 26°C when the goats are protected from direct solar radiation. PMID:27157333

  3. Statistical physics ""Beyond equilibrium

    SciTech Connect

    Ecke, Robert E

    2009-01-01

    The scientific challenges of the 21st century will increasingly involve competing interactions, geometric frustration, spatial and temporal intrinsic inhomogeneity, nanoscale structures, and interactions spanning many scales. We will focus on a broad class of emerging problems that will require new tools in non-equilibrium statistical physics and that will find application in new material functionality, in predicting complex spatial dynamics, and in understanding novel states of matter. Our work will encompass materials under extreme conditions involving elastic/plastic deformation, competing interactions, intrinsic inhomogeneity, frustration in condensed matter systems, scaling phenomena in disordered materials from glasses to granular matter, quantum chemistry applied to nano-scale materials, soft-matter materials, and spatio-temporal properties of both ordinary and complex fluids.

  4. Grinding kinetics and equilibrium states

    NASA Technical Reports Server (NTRS)

    Opoczky, L.; Farnady, F.

    1984-01-01

    The temporary and permanent equilibrium occurring during the initial stage of cement grinding does not indicate the end of comminution, but rather an increased energy consumption during grinding. The constant dynamic equilibrium occurs after a long grinding period indicating the end of comminution for a given particle size. Grinding equilibrium curves can be constructed to show the stages of comminution and agglomeration for certain particle sizes.

  5. Thermodynamics of liquid mixtures

    SciTech Connect

    Toghiani-Doulatabadi, H.

    1988-01-01

    In designing separation equipment, an understanding of phase equilibria and the ability to analytically interpret experimental vapor-liquid equilibrium data are extremely important. Additionally, a systematic study of binary systems of chemicals from different homologous series could increase understanding of group contribution methods and allow prediction of phase equilibria for more complicated systems. As an extension of the coal-based chemicals research carried out by the Thermodynamics Research Group at the University of Missouri-Columbia, it was undertaken to study vapor-liquid equilibria for the binary systems methanol-benzene and methanol-thiophene. Methanol exhibits association in its pure form and so these binary systems are highly non-ideal. Prediction of vapor-liquid equilibria for these systems using a single equation of state provides a severe test of the capabilities of such an analytic equation of state. A modified Swietoslawski ebulliometer of the recirculating type with continuous flow of both liquid and vapor phases was constructed. Vapor pressure data for all three pure components were measured. Both isobaric and isothermal vapor-liquid equilibrium data were obtained for each binary system. The data were subjected to thermodynamic consistency tests and then rigorously analyzed using the maximum likelihood technique. The data were also analyzed using a single equation of state developed in the present work. This equation of state is valid for both polar and apolar substances and is capable of quantitative prediction of properties for both liquid and vapor phases of a pure substance.

  6. Napoleon Is in Equilibrium

    NASA Astrophysics Data System (ADS)

    Phillips, Rob

    2015-03-01

    It has been said that the cell is the test tube of the twenty-first century. If so, the theoretical tools needed to quantitatively and predictively describe what goes on in such test tubes lag sorely behind the stunning experimental advances in biology seen in the decades since the molecular biology revolution began. Perhaps surprisingly, one of the theoretical tools that has been used with great success on problems ranging from how cells communicate with their environment and each other to the nature of the organization of proteins and lipids within the cell membrane is statistical mechanics. A knee-jerk reaction to the use of statistical mechanics in the description of cellular processes is that living organisms are so far from equilibrium that one has no business even thinking about it. But such reactions are probably too hasty given that there are many regimes in which, because of a separation of timescales, for example, such an approach can be a useful first step. In this article, we explore the power of statistical mechanical thinking in the biological setting, with special emphasis on cell signaling and regulation. We show how such models are used to make predictions and describe some recent experiments designed to test them. We also consider the limits of such models based on the relative timescales of the processes of interest.

  7. Convective quasi-equilibrium

    NASA Astrophysics Data System (ADS)

    Yano, J.-I.; Plant, R. S.

    2012-12-01

    The concept of convective quasi-equilibrium (CQE) is a key ingredient in order to understand the role of deep moist convection in the atmosphere. It has been used as a guiding principle to develop almost all convective parameterizations and provides a basic theoretical framework for large-scale tropical dynamics. The CQE concept as originally proposed by Arakawa and Schubert (1974) is systematically reviewed from wider perspectives. Various interpretations and extensions of Arakawa and Schubert's CQE are considered both in terms of a thermodynamic analogy and as a dynamical balance. The thermodynamic interpretations can be more emphatically embraced as a homeostasis. The dynamic balance interpretations can be best understood by analogy with the slow manifold. Various criticisms of CQE can be avoided by taking the dynamic balance interpretation. Possible limits of CQE are also discussed, including the importance of triggering in many convective situations, as well as the possible self-organized criticality of tropical convection. However, the most intriguing aspect of the CQE concept is that in spite of many observational tests supporting and interpreting it in many different senses, it has never been established in a robust manner based on a systematic analysis of the cloud work function budget by observations as was originally defined.

  8. The Isospin Admixture of The Ground State and The Properties of The Isobar Analog Resonances In Deformed Nuclei

    SciTech Connect

    Aygor, H. Ali; Maras, Ismail; Cakmak, Necla; Selam, Cevad

    2008-11-11

    Within quasiparticle random phase approximation (QRPA), Pyatov-Salamov method for the self-consistent determination of the isovector effective interaction strength parameter, restoring a broken isotopic symmetry for the nuclear part of the Hamiltonian, is used. The isospin admixtures in the ground state of the parent nucleus, and the isospin structure of the isobar analog resonance (IAR) state are investigated by including the pairing correlations between nucleons for {sup 72-80}Kr isotopes. Our results are compared with the spherical case and with other theoretical results.

  9. Misleading measures in Vitamin D analysis: A novel LC-MS/MS assay to account for epimers and isobars

    PubMed Central

    2011-01-01

    Background Recently, the accuracies of many commercially available immunoassays for Vitamin D have been questioned. Liquid chromatography tandem mass spectrometry (LC- MS/MS) has been shown to facilitate accurate separation and quantification of the major circulating metabolite 25-hydroxyvitamin-D3 (25OHD3) and 25-hydroxyvitamin-D2 (25OHD2) collectively termed as 25OHD. However, among other interferents, this method may be compromised by overlapping peaks and identical masses of epimers and isobars, resulting in inaccuracies in circulating 25OHD measurements. The aim of this study was to develop a novel LC-MS/MS method that can accurately identify and quantitate 25OHD3 and 25OHD2 through chromatographic separation of 25OHD from its epimers and isobars. Methods A positive ion electrospray ionisation (ESI) LC-MS/MS method was used in the Multiple Reaction Monitoring (MRM) mode for quantification. It involved i) liquid-liquid extraction, ii) tandem columns (a high resolution ZORBAX C18 coupled to an ULTRON chiral, with guard column and inlet filter), iii) Stanozolol-D3 as internal standard, and iv) identification via ESI and monitoring of three fragmentation transitions. To demonstrate the practical usefulness of our method, blood samples were collected from 5 healthy male Caucasian volunteers; age range 22 to 37 years and 25OHD2, 25OHD3 along with co-eluting epimers and analogues were quantified. Results The new method allowed chromatographic separation and quantification of 25OHD2, 25OHD3, along with 25OHD3 epimer 3-epi-25OHD3 and isobars 1-α-hydroxyvitamin-D3 (1αOHD3), and 7-α-hydroxy-4-cholesten-3-one (7αC4). The new assay was capable of detecting 0.25 ng/mL of all analytes in serum. Conclusions To our knowledge, this is the first specific, reliable, reproducible and robust LC-MS/MS method developed for the accurate detection of 25OHD (Vitamin D). The method is capable of detecting low levels of 25OHD3 and 25OHD2 together with chromatographic separation from the co-eluting epimers and isobars and circumvents other instrumental/analytical interferences. This analytical method does not require time-consuming derivatisation and complex extraction techniques and could prove very useful in clinical studies. PMID:21569549

  10. Improved thermometer for intermediate-mass fragments in heavy-ion collisions with isobaric yield ratio difference

    NASA Astrophysics Data System (ADS)

    Ma, Chun-Wang; Ding, Tian-Tian; Qiao, Chun-Yuan; Cao, Xi-Guang

    2015-12-01

    Background: Temperature is an important parameter in studying many important questions in heavy-ion collisions. A thermometer based on the isobaric yield ratio (IYR) has been proposed [Ma et al., Phys. Rev. C 86, 054611 (2012), 10.1103/PhysRevC.86.054611; Phys. Rev. C 88, 014609 (2013), 10.1103/PhysRevC.88.014609]. Purpose: An improved thermometer (TI B) is proposed based on the difference between IYRs. TI B obtained from isobars in different reactions will be compared. Methods: The yields of three isobars are employed in TI B. The residual free energy of the three isobars are replaced by that of the binding energy. No secondary decay modification for odd A fragment is used in TI B. Results: The measured fragment yields in the 140 A MeV40,48Ca+(181Ta9Be) and 58,64Ni+(181Ta9Be), the 1 A GeV124,136Xe+Pb+, and the 112,124Sn+,112,124Sn reactions have been analyzed to obtain TI B from IMFs. TI B from most of the fragments in the 40,48Ca and 58,64Ni reactions is in the range of 0.6 MeV

  11. Rapid-Equilibrium Enzyme Kinetics

    ERIC Educational Resources Information Center

    Alberty, Robert A.

    2008-01-01

    Rapid-equilibrium rate equations for enzyme-catalyzed reactions are especially useful because if experimental data can be fit by these simpler rate equations, the Michaelis constants can be interpreted as equilibrium constants. However, for some reactions it is necessary to use the more complicated steady-state rate equations. Thermodynamics is…

  12. Rapid-Equilibrium Enzyme Kinetics

    ERIC Educational Resources Information Center

    Alberty, Robert A.

    2008-01-01

    Rapid-equilibrium rate equations for enzyme-catalyzed reactions are especially useful because if experimental data can be fit by these simpler rate equations, the Michaelis constants can be interpreted as equilibrium constants. However, for some reactions it is necessary to use the more complicated steady-state rate equations. Thermodynamics is

  13. Equilibrium Shape of Colloidal Crystals.

    PubMed

    Sehgal, Ray M; Maroudas, Dimitrios

    2015-10-27

    Assembling colloidal particles into highly ordered configurations, such as photonic crystals, has significant potential for enabling a broad range of new technologies. Facilitating the nucleation of colloidal crystals and developing successful crystal growth strategies require a fundamental understanding of the equilibrium structure and morphology of small colloidal assemblies. Here, we report the results of a novel computational approach to determine the equilibrium shape of assemblies of colloidal particles that interact via an experimentally validated pair potential. While the well-known Wulff construction can accurately capture the equilibrium shape of large colloidal assemblies, containing O(10(4)) or more particles, determining the equilibrium shape of small colloidal assemblies of O(10) particles requires a generalized Wulff construction technique which we have developed for a proper description of equilibrium structure and morphology of small crystals. We identify and characterize fully several "magic" clusters which are significantly more stable than other similarly sized clusters. PMID:26439330

  14. Single and double beta decays in the A=100, A=116 and A=128 triplets of isobars

    NASA Astrophysics Data System (ADS)

    Suhonen, J.; Civitarese, O.

    2014-04-01

    In this paper we analyze the ground-state-to-ground-state two-neutrino double beta (2νββ) decays and single EC and β- decays for the A=100 (100Mo-100Tc-100Ru), A=116 (116Cd-116In-116Sn) and A=128 (128Te-128I-128Xe) triplets of isobars. We use the proton-neutron quasiparticle random-phase approximation (pnQRPA) with realistic G-matrix-derived effective interactions in very large single-particle bases. The purpose is to access the effective value of the axial-vector coupling constant gA in the pnQRPA calculations. We show that the three triplets of isobars represent systems with different characteristics of orbital occupancies and cumulative 2νββ nuclear matrix elements. Our analysis points to a considerably quenched averaged effective value of ≈0.6±0.2 in the pnQRPA calculations.

  15. A randomized controlled study comparing intrathecal hyperbaric bupivacaine-fentanyl mixture and isobaric bupivacaine-fentanyl mixture in common urological procedures

    PubMed Central

    Upadya, Madhusudan; Neeta, S; Manissery, Jesni Joseph; Kuriakose, Nigel; Singh, Rakesh Raushan

    2016-01-01

    Background and Aims: Bupivacaine is available in isobaric and hyperbaric forms for intrathecal use and opioids are used as additives to modify their effects. The aim of this study was to compare the efficacy and haemodynamic effect of intrathecal isobaric bupivacaine-fentanyl mixture and hyperbaric bupivacaine-fentanyl mixture in common urological procedures. Methods: One hundred American Society of Anesthesiologists physical status 1 and 2 patients undergoing urological procedures were randomized into two groups. Group 1 received 3 ml of 0.5% isobaric bupivacaine with 25 μg fentanyl while Group 2 received 3 ml of 0.5% hyperbaric bupivacaine with 25 μg fentanyl. The parameters measured include heart rate, blood pressure, respiratory rate, onset and duration of motor and sensory blockade. Student's unpaired t-test and the χ2 test were used to analyse the results, using the SPSS version 11.5 software. Results: The haemodynamic stability was better with isobaric bupivacaine fentanyl mixture (Group 1) than with hyperbaric bupivacaine fentanyl mixture (Group 2). The mean onset time in Group 1 for both sensory block (4 min) and motor block (5 min) was longer compared with Group 2. The duration of sensory block (127.8 ± 38.64 min) and motor block (170.4 ± 27.8 min) was less with isobaric bupivacaine group compared with hyperbaric bupivacaine group (sensory blockade 185.4 ± 16.08 min and motor blockade 201.6 ± 14.28 min). Seventy percent of patients in Group 2 had maximum sensory block level of T6 whereas it was 53% in Group 1. More patients in Group 1 required sedation compared to Group 2. Conclusion: Isobaric bupivacaine fentanyl mixture was found to provide adequate anaesthesia with minimal incidence of haemodynamic instability. PMID:26962255

  16. Helical axis stellarator equilibrium model

    SciTech Connect

    Koniges, A.E.; Johnson, J.L.

    1985-10-01

    An asymptotic model is developed to study magnetohydrodynamic equilibria in toroidal systems with a helical magnetic axis. Using a characteristic coordinate system based on the vacuum field lines, the equilibrium problem is reduced to a two-dimensional generalized partial differential equation of the Grad--Shafranov type. A stellarator-expansion free-boundary equilibrium code is modified to solve the helical-axis equations. The expansion model is used to predict the equilibrium properties of toroidal asperator devices. Numerically determined flux surfaces, magnetic well, transform, and shear are presented. The equilibria show a toroidal Shafranov shift.

  17. Helical axis stellarator equilibrium model

    SciTech Connect

    Koniges, A.E.; Johnson, J.L.

    1985-02-01

    An asymptotic model is developed to study MHD equilibria in toroidal systems with a helical magnetic axis. Using a characteristic coordinate system based on the vacuum field lines, the equilibrium problem is reduced to a two-dimensional generalized partial differential equation of the Grad-Shafranov type. A stellarator-expansion free-boundary equilibrium code is modified to solve the helical-axis equations. The expansion model is used to predict the equilibrium properties of Asperators NP-3 and NP-4. Numerically determined flux surfaces, magnetic well, transform, and shear are presented. The equilibria show a toroidal Shafranov shift.

  18. Understanding thermal equilibrium through activities

    NASA Astrophysics Data System (ADS)

    Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra

    2015-03-01

    Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education pp 169-72) we found that students in India have a rather unsatisfactory understanding of thermal equilibrium. We have designed and developed a module of five activities, which are presented in succession to the students. These activities address the students’ alternative conceptions that underlie their lack of understanding of thermal equilibrium and aim at enhancing their understanding of the concept.

  19. Equilibrium and Orientation in Cephalopods.

    ERIC Educational Resources Information Center

    Budelmann, Bernd-Ulrich

    1980-01-01

    Describes the structure of the equilibrium receptor system in cephalopods, comparing it to the vertebrate counterpart--the vestibular system. Relates the evolution of this complex system to the competition of cephalopods with fishes. (CS)

  20. Simulations for Teaching Chemical Equilibrium

    NASA Astrophysics Data System (ADS)

    Huddle, Penelope A.; White, Margaret Dawn; Rogers, Fiona

    2000-07-01

    This paper outlines a systematic approach to teaching chemical equilibrium using simulation experiments that address most known alternate conceptions in the topic. Graphs drawn using the data from the simulations are identical to those obtained using real experimental data for reactions that go to equilibrium. This allows easy mapping of the analogy to the target. The requirements for the simulations are simple and inexpensive, making them accessible to even the poorest schools. The simulations can be adapted for all levels, from pupils who are first encountering equilibrium through students in tertiary education to qualified teachers who have experienced difficulty in teaching the topic. The simulations were piloted on four very different audiences. Minor modifications were then made before the Equilibrium Games as reported in this paper were tested on three groups of subjects: a Grade 12 class, college students, and university Chemistry I students. Marked improvements in understanding of the concept were shown in two of the three sets of subjects.

  1. Phase equilibrium data for development of correlations for coal fluids

    SciTech Connect

    Robinson, R.L. Jr.; Gasem, K.A.M.; Darwish, N.A.; Raff, A.M.

    1991-02-01

    The overall objective of the authors' work is to develop accurate predictive methods for representations of vapor-liquid equilibria in systems encountered in coal-conversion processes. The objectives pursued in the present project include: (1) Measurements of binary vapor-liquid phase behavior data for selected solute gases (e.g., C{sub 2}H{sub 6}, CH{sub 4}) in a series of paraffinic, naphthenic, and aromatic hydrocarbon solvents to permit evaluations of interaction parameters in models for phase behavior. Solubilities of the gases in the liquid phase have been determined. (2) Evaluation of existing equations of state and other models for representations of phase behavior in systems of the type studied experimentally; development of new correlation frameworks as needed. (3) Generalization of the interaction parameters for the solutes studied to a wide spectrum of heavy solvents; presentation of final results in formats useful in the design/optimization of coal liquefaction processes.

  2. Edge equilibrium code for tokamaks

    SciTech Connect

    Li, Xujing; Drozdov, Vladimir V.

    2014-01-15

    The edge equilibrium code (EEC) described in this paper is developed for simulations of the near edge plasma using the finite element method. It solves the Grad-Shafranov equation in toroidal coordinate and uses adaptive grids aligned with magnetic field lines. Hermite finite elements are chosen for the numerical scheme. A fast Newton scheme which is the same as implemented in the equilibrium and stability code (ESC) is applied here to adjust the grids.

  3. A search for equilibrium states

    NASA Technical Reports Server (NTRS)

    Zeleznik, F. J.

    1982-01-01

    An efficient search algorithm is described for the location of equilibrium states in a search set of states which differ from one another only by the choice of pure phases. The algorithm has three important characteristics: (1) it ignores states which have little prospect for being an improved approximation to the true equilibrium state; (2) it avoids states which lead to singular iteration equations; (3) it furnishes a search history which can provide clues to alternative search paths.

  4. Shape characteristics of equilibrium and non-equilibrium fractal clusters

    NASA Astrophysics Data System (ADS)

    Mansfield, Marc L.; Douglas, Jack F.

    2013-07-01

    It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other between the viscosity and hydrodynamic radii, as potential measures of shape anisotropy. We also find a strong correlation between anisotropy and effective fractal dimension. These observations should provide new practical methods for quantifying the nature of particle clustering in diverse contexts.

  5. Shape characteristics of equilibrium and non-equilibrium fractal clusters.

    PubMed

    Mansfield, Marc L; Douglas, Jack F

    2013-07-28

    It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other between the viscosity and hydrodynamic radii, as potential measures of shape anisotropy. We also find a strong correlation between anisotropy and effective fractal dimension. These observations should provide new practical methods for quantifying the nature of particle clustering in diverse contexts. PMID:23902013

  6. Liquid-vapor relations for the system NaCl-H2O: summary of the P-T- x surface from 300° to 500°C

    USGS Publications Warehouse

    Bischoff, J.L.; Pitzer, Kenneth S.

    1989-01-01

    Experimental data on the vapor-liquid equilibrium relations for the system NaCl-H2O were compiled and compared in order to provide an improved estimate of the P-T-x surface between 300° to 500°C, a range for which the system changes from subcritical to critical behavior. Data for the three-phase curve (halite + liquid + vapor) and the NaCl-H2O critical curve were evaluated, and the best fits for these extrema then were used to guide selection of best fit for isothermal plots for the vapor-liquid region in-between. Smoothing was carried out in an iterative procedure by replotting the best-fit data as isobars and then as isopleths, until an internally consistent set of data was obtained. The results are presented in table form that will have application to theoretical modelling and to the understanding of two-phase behavior in saline geothermal systems.

  7. Drop tower experiment for performance evaluation of gas-liquid equilibrium thruster for small spacecraft

    NASA Astrophysics Data System (ADS)

    Motooka, Norizumi; Yamamoto, Takayuki; Mori, Osamu; Okano, Yoshinobu; Kishino, Yoshihiro; Kawaguchi, Junichiro

    JAXA/ISAS is developing the gas-liquid equilibrium thruster for a small spacecraft. In small spacecrafts, the thruster system must be simple and its weight must be light. This thruster system uses HFC-134a (1,1,1,2-tetrafluoroethane) , a kind of liquefied gas, as propellant because of its harmlessness and ease of handling. And this thruster stores propellant as liquid in the tank and ejects propellant as gas using the gas-liquid equilibrium pressure to produce thrust, so the propellant tank only needs to resist the vapor pressure of propellant. In this thruster system, the porous metal is also equipped in the tank for the following performance advantages: (1) liquid fuel retention: The porous metal reduces sloshing problems which cause bad effects on spacecraft attitude by retaining liquid propellant inside the porous metal: (2) vapor-liquid separation: The porous metal also helps propellant separate gas from liquid by advancing propellant vaporization on its large surface area and retaining liquid propellant using its surface tension. In last autumn, we carried out the experiment to evaluate these two advantages of porous metal under micro gravity condition using 50 meters drop tower in Hokkaido, Japan. The system of this experiment divides into two different systems. The first one evaluates liquid propellant retention performance by adding disturbance to liquid propellant absorbed in porous metal. The disturbance is centrifugal force and angular acceleration worked on the liquid propellant by rotating propellant tank controlled by motor. A high speed camera records the behavior of the liquid propellant. The other one evaluates the ability of gas-liquid separation on the case of propellant ejection. In this evaluation, the parameters are full filling porous metal or some ullage in the tank, nozzle diameters and the filling ratio of liquid propellant in the tank. As for (1) liquid fuel retention, in all conducted cases without propellant ejection, liquid propellant was retained in the porous metal. It is obvious that the porous metal is effective for decreasing of sloshing problems. We evaluated this effectiveness analytically based on head pressure worked on liquid propellant as centrifugal force and angular acceleration. As for (2)vapor-liquid separation, liquid propellant retained inside the porous metal started to boil right after propellant ejection occurred and propellant was ejected mixed with liquid. And after propellant ejection, it takes some time to recover tank pressure into saturated vapor pressure. To obtain stable thrust force, it is required to halt the propellant ejection just before the tank pressure reaches to the break point pressure and to take enough ejection intervals to recover the tank pressure. From these experiments, for practical use of this thruster system, that is, to avoid liquid propellant ejection, it is important to ensure adequate ullage volume of tank to achieve mission requirement.

  8. Isobar channels in the production of {pi}{sup +}{pi}{sup -} pairs on a proton by virtual photons

    SciTech Connect

    Burkert, V. D.; Mokeev, V. I.; Shvedunov, N. V.; Boluchevskii, A. A.; Battaglieri, M.; Golovach, E. N.; Elouardrhiri, L.; Joo, K.; Isupov, E. L.; Ishkhanov, B. S.; Markov, N. S.; Ripani, M.; Ricco, J.; Sapunenko, V. V.; Taiuti, M.; Fedotov, G. V.

    2007-03-15

    A new approach is developed for evaluating contributions of various isobar channels to the double charged-pion production in the reactions {gamma}{sub r,v}p {sup {yields}} {pi}{sup +}{pi}{sup -}p. This approach makes it possible to determine both respective cross sections and amplitudes for quasi-two-particle channels from a fit to data on cross sections for a three-particle final state. The diffractive anzatz, which is widely used to describe rho-meson production, is modified to meet the purpose of the description of data in the near-threshold and subthreshold regions. The cross sections for rho-meson electroproduction in the energy region of nucleon-resonance excitation are determined for the first time on the basis of the latest data of the CLAS Collaboration.

  9. Isothermal-isobaric mineral equilibria in braunite-, rhodonite-, johannsenite-, calcite-bearing assemblages from Northern Apennine metacherts (Italy)

    NASA Astrophysics Data System (ADS)

    Cabella, R.; Gaggero, L.; Lucchetti, G.

    1991-12-01

    Johannsenite coexisting with rhodonite (mol% CaSiO 3 up to 24-25) and calcite (mol% MnCO 3 up to 4) occurs in veins and fracture fillings in braunite (+quartz±hematite) deposits within metacherts at Gambatesa Mine, Val Graveglia, Italy. Primary sedimentary Mn-oxide and hydroxide ores re-equilibrated to braunite+quartz layers and developed Mn-silicate and carbonate assemblages during folding and CaCO 2 metasomatism under prehnite-pumpellyite facies metamorphic conditions. The observed braunite-, rhodonite-, johannsenite- and calcite-bearing assemblages equilibrated at constant P and T as a result of progressive infiltration of Ca-rich, CO 2--bearing, relatively reducing hydrous fluids. The observed paragenetic equilibria are discussed in a μO 2μCO 2 isothermal-isobaric diagram.

  10. Spectroscopy of the neutron-deficient isobars {sup 163}Re and {sup 163}W using tagging techniques

    SciTech Connect

    Joss, D. T.; Thomson, J.; Page, R. D.; Bianco, L.; Darby, I. G.; Grahn, T.; Pakarinen, J.; Paul, E. S.; Scholey, C.; Eeckhaudt, S.; Greenlees, P. T.; Jones, P. M.; Julin, R.; Juutinen, S.; Ketelhut, S.; Leino, M.; Leppaennen, A.-P.; Nyman, M.; Rahkila, P.; Sorri, J.

    2008-11-11

    Selective tagging techniques have been used to establish new band structures in the transitional isobars {sup 163}Re and {sup 163}W. These nuclei were produced in the {sup 106}Cd({sup 60}Ni, xp yn {gamma}) reaction at a bombarding energy of 270 MeV. Prompt {gamma} rays were detected at the target position using the JUROGAM spectrometer while recoiling ions were separated by the RITU separator and implanted into the GREAT spectrometer. At low spin, the yrast band of {sup 163}Re is shown to be a strongly coupled collective band based on a proton h{sub 11/2} configuration. In {sup 163}W, the decay path of the 13/2{sup +} isomeric state to the ground state has been identified and negative parity structures based on the ground state established.

  11. The separation and analysis of symmetric and asymmetric dimethylarginine and other hydrophilic isobaric compounds using aqueous normal phase chromatography.

    PubMed

    Pesek, Joseph J; Matyksa, Maria T; Modereger, Brent; Hasbun, Alejandra; Phan, Vy T; Mehr, Zahra; Guzman, Mariano; Watanable, Seiichiro

    2016-04-01

    Two biologically important compounds with clinical relevance, asymmetric dimethylarginine and symmetric dimethylarginine, are analyzed using aqueous normal phase chromatography on silica hydride-based columns. Two different stationary phases were tested, a commercially available Diamond Hydride™ and a 2-acrylamido-2-methylpropane sulfonic acid experimental column. Two types of analytical protocols were investigated: analysis of the compounds when separation was achieved and analysis of the compounds with partial chromatographic separation. Urine samples from tuberculosis patients were tested for levels of asymmetric and symmetric dimethylarginine. The mass spectrometric technique of in-source fragmentation that can provide data similar to a tandem mass analyzer was evaluated as a means of identification and quantitation of the two compounds when complete separation is not achieved. This same protocol was also evaluated for two other isobaric compounds, glucose-1 and glucose-6 phohsphate, and leucine and isoleucine. PMID:26952368

  12. Measurement of Isobaric Heat Capacity of Gaseous Trans-1,3,3,3-tetrafluoropropene (HFO 1234ze (E) )

    NASA Astrophysics Data System (ADS)

    Kagawa, Noboru; Matsuguchi, Atsushi; Watanabe, Koichi

    The specific isobaric heat capacity (cp) was measured for HFO-1234ze(E) (trans-1,3,3,3-tetrafluoropropene) in the gas phase. HFO-1234ze(E) has a lower GWP value of 6 and is one of new environment-friendly refrigerants. Nineteen measurements for HFO-1234ze(E) were obtained at temperatures from 303 K to 363 K and at pressures from 0.35 MPa to 1.3 MPa. The expanded uncertainty (k=2) of the temperature measurements is estimated to be less 22 mK, and that of the pressure measurements is less 4.4 kPa. The expanded uncertainty for cp is estimated to range from 14 to 21 J.kg-1.K-1.

  13. Proteomic identification and quantification of S-glutathionylation in mouse macrophages using resin-assisted enrichment and isobaric labeling.

    PubMed

    Su, Dian; Gaffrey, Matthew J; Guo, Jia; Hatchell, Kayla E; Chu, Rosalie K; Clauss, Therese R W; Aldrich, Joshua T; Wu, Si; Purvine, Sam; Camp, David G; Smith, Richard D; Thrall, Brian D; Qian, Wei-Jun

    2014-02-01

    S-Glutathionylation (SSG) is an important regulatory posttranslational modification on protein cysteine (Cys) thiols, yet the role of specific cysteine residues as targets of modification is poorly understood. We report a novel quantitative mass spectrometry (MS)-based proteomic method for site-specific identification and quantification of S-glutathionylation across different conditions. Briefly, this approach consists of initial blocking of free thiols by alkylation, selective reduction of glutathionylated thiols, and covalent capture of reduced thiols using thiol affinity resins, followed by on-resin tryptic digestion and isobaric labeling with iTRAQ (isobaric tags for relative and absolute quantitation) for MS-based identification and quantification. The overall approach was initially validated by application to RAW 264.7 mouse macrophages treated with different doses of diamide to induce glutathionylation. A total of 1071 Cys sites from 690 proteins were identified in response to diamide treatment, with ~90% of the sites displaying >2-fold increases in SSG modification compared to controls. This approach was extended to identify potential SSG-modified Cys sites in response to H2O2, an endogenous oxidant produced by activated macrophages and many pathophysiological stimuli. The results revealed 364 Cys sites from 265 proteins that were sensitive to S-glutathionylation in response to H2O2 treatment, thus providing a database of proteins and Cys sites susceptible to this modification under oxidative stress. Functional analysis revealed that the most significantly enriched molecular function categories for proteins sensitive to SSG modifications were free radical scavenging and cell death/survival. Overall the results demonstrate that our approach is effective for site-specific identification and quantification of SSG-modified proteins. The analytical strategy also provides a unique approach to determining the major pathways and cellular processes most susceptible to S-glutathionylation under stress conditions. PMID:24333276

  14. Molecular dynamics in the isothermal-isobaric ensemble: the requirement of a "shell" molecule. III. Discontinuous potentials.

    PubMed

    Uline, Mark J; Corti, David S

    2008-07-01

    Based on the approach of Gruhn and Monson [Phys. Rev. E 63, 061106 (2001)], we present a new method for deriving the collisions dynamics for particles that interact via discontinuous potentials. By invoking the conservation of the extended Hamiltonian, we generate molecular dynamics (MD) algorithms for simulating the hard-sphere and square-well fluids within the isothermal-isobaric (NpT) ensemble. Consistent with the recent rigorous reformulation of the NpT ensemble partition function, the equations of motion impose a constant external pressure via the introduction of a shell particle of known mass [M. J. Uline and D. S. Corti, J. Chem. Phys. 123, 164101 (2005); 123, 164102 (2005)], which serves to define uniquely the volume of the system. The particles are also connected to a temperature reservoir through the use of a chain of Nose-Hoover thermostats, the properties of which are not affected by a hard-sphere or square-well collision. By using the Liouville operator formalism and the Trotter expansion theorem to integrate the equations of motion, the update of the thermostat variables can be decoupled from the update of the positions of the particles and the momentum changes upon a collision. Hence, once the appropriate collision dynamics for the isobaric-isenthalpic (NpH) equations of motion is known, the adaptation of the algorithm to the NpT ensemble is straightforward. Results of MD simulations for the pure component square-well fluid are presented and serve to validate our algorithm. Finally, since the mass of the shell particle is known, the system itself, and not a piston of arbitrary mass, controls the time scales for internal pressure and volume fluctuations. We therefore consider the influence of the shell particle algorithm on the dynamics of the square-well fluid. PMID:18624470

  15. Proteomic Identification and Quantification of S-glutathionylation in Mouse Macrophages Using Resin-Assisted Enrichment and Isobaric Labeling

    SciTech Connect

    Su, Dian; Gaffrey, Matthew J.; Guo, Jia; Hatchell, Kayla E.; Chu, Rosalie K.; Clauss, Therese RW; Aldrich, Joshua T.; Wu, Si; Purvine, Samuel O.; Camp, David G.; Smith, Richard D.; Thrall, Brian D.; Qian, Weijun

    2014-02-11

    Protein S-glutathionylation (SSG) is an important regulatory posttranslational modification of protein cysteine (Cys) thiol redox switches, yet the role of specific cysteine residues as targets of modification is poorly understood. We report a novel quantitative mass spectrometry (MS)-based proteomic method for site-specific identification and quantification of S-glutathionylation across different conditions. Briefly, this approach consists of initial blocking of free thiols by alkylation, selective reduction of glutathionylated thiols and enrichment using thiol affinity resins, followed by on-resin tryptic digestion and isobaric labeling with iTRAQ (isobaric tags for relative and absolute quantitation) for MS-based identification and quantification. The overall approach was validated by application to RAW 264.7 mouse macrophages treated with different doses of diamide to induce glutathionylation. A total of 1071 Cys-sites from 690 proteins were identified in response to diamide treatment, with ~90% of the sites displaying >2-fold increases in SSG-modification compared to controls.. This approach was extended to identify potential SSG modified Cys-sites in response to H2O2, an endogenous oxidant produced by activated macrophages and many pathophysiological stimuli. The results revealed 364 Cys-sites from 265 proteins that were sensitive to S-glutathionylation in response to H2O2 treatment. These proteins covered a range of molecular types and molecular functions with free radical scavenging, and cell death and survival included as the most significantly enriched functional categories. Overall the results demonstrate that our approach is effective for site-specific identification and quantification of S-glutathionylated proteins. The analytical strategy also provides a unique approach to determining the major pathways and cell processes most susceptible to glutathionylation at a proteome-wide scale.

  16. Detecting temperature fluctuations at equilibrium.

    PubMed

    Dixit, Purushottam D

    2015-05-21

    The Gibbs and the Boltzmann definition of temperature agree only in the macroscopic limit. The ambiguity in identifying the equilibrium temperature of a finite-sized 'small' system exchanging energy with a bath is usually understood as a limitation of conventional statistical mechanics. We interpret this ambiguity as resulting from a stochastically fluctuating temperature coupled with the phase space variables giving rise to a broad temperature distribution. With this ansatz, we develop the equilibrium statistics and dynamics of small systems. Numerical evidence using an analytically tractable model shows that the effects of temperature fluctuations can be detected in the equilibrium and dynamical properties of the phase space of the small system. Our theory generalizes statistical mechanics to small systems relevant in biophysics and nanotechnology. PMID:25912565

  17. Tuning universality far from equilibrium

    PubMed Central

    Karl, Markus; Nowak, Boris; Gasenzer, Thomas

    2013-01-01

    Possible universal dynamics of a many-body system far from thermal equilibrium are explored. A focus is set on meta-stable non-thermal states exhibiting critical properties such as self-similarity and independence of the details of how the respective state has been reached. It is proposed that universal dynamics far from equilibrium can be tuned to exhibit a dynamical transition where these critical properties change qualitatively. This is demonstrated for the case of a superfluid two-component Bose gas exhibiting different types of long-lived but non-thermal critical order. Scaling exponents controlled by the ratio of experimentally tuneable coupling parameters offer themselves as natural smoking guns. The results shed light on the wealth of universal phenomena expected to exist in the far-from-equilibrium realm. PMID:23928853

  18. General equilibrium of an ecosystem.

    PubMed

    Tschirhart, J

    2000-03-01

    Ecosystems and economies are inextricably linked: ecosystem models and economic models are not linked. Consequently, using either type of model to design policies for preserving ecosystems or improving economic performance omits important information. Improved policies would follow from a model that links the systems and accounts for the mutual feedbacks by recognizing how key ecosystem variables influence key economic variables, and vice versa. Because general equilibrium economic models already are widely used for policy making, the approach used here is to develop a general equilibrium ecosystem model which captures salient biological functions and which can be integrated with extant economic models. In the ecosystem model, each organism is assumed to be a net energy maximizer that must exert energy to capture biomass from other organisms. The exerted energies are the "prices" that are paid to biomass, and each organism takes the prices as signals over which it has no control. The maximization problem yields the organism's demand for and supply of biomass to other organisms as functions of the prices. The demands and supplies for each biomass are aggregated over all organisms in each species which establishes biomass markets wherein biomass prices are determined. A short-run equilibrium is established when all organisms are maximizing and demand equals supply in every biomass market. If a species exhibits positive (negative) net energy in equilibrium, its population increases (decreases) and a new equilibrium follows. The demand and supply forces in the biomass markets drive each species toward zero stored energy and a long-run equilibrium. Population adjustments are not based on typical Lotka-Volterra differential equations in which one entire population adjusts to another entire population thereby masking organism behavior; instead, individual organism behavior is central to population adjustments. Numerical simulations use a marine food web in Alaska to illustrate the model and to show several simultaneous predator/prey relationships, prey switching by the top predator, and energy flows through the web. PMID:10677274

  19. Equilibrium in a Production Economy

    SciTech Connect

    Chiarolla, Maria B.; Haussmann, Ulrich G.

    2011-06-15

    Consider a closed production-consumption economy with multiple agents and multiple resources. The resources are used to produce the consumption good. The agents derive utility from holding resources as well as consuming the good produced. They aim to maximize their utility while the manager of the production facility aims to maximize profits. With the aid of a representative agent (who has a multivariable utility function) it is shown that an Arrow-Debreu equilibrium exists. In so doing we establish technical results that will be used to solve the stochastic dynamic problem (a case with infinite dimensional commodity space so the General Equilibrium Theory does not apply) elsewhere.

  20. Chemical Principles Revisited: Using the Equilibrium Concept.

    ERIC Educational Resources Information Center

    Mickey, Charles D., Ed.

    1981-01-01

    Discusses the concept of equilibrium in chemical systems, particularly in relation to predicting the position of equilibrium, predicting spontaneity of a reaction, quantitative applications of the equilibrium constant, heterogeneous equilibrium, determination of the solubility product constant, common-ion effect, and dissolution of precipitates.…

  1. Equilibrium Principles: A Game for Students

    NASA Astrophysics Data System (ADS)

    Edmonson, Lionel J., Jr.; Lewis, Don L.

    1999-04-01

    The laboratory exercise is a game using marked sugar cubes as dice. The game emphasizes the dynamic character of equilibrium. Forward and reverse rate-constant values are used to calculate an equilibrium constant and to predict equilibrium populations. Predicted equilibrium populations are compared with experimental results.

  2. Understanding Thermal Equilibrium through Activities

    ERIC Educational Resources Information Center

    Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra

    2015-01-01

    Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 "Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education" pp 169-72) we…

  3. Equilibrium problems for Raney densities

    NASA Astrophysics Data System (ADS)

    Forrester, Peter J.; Liu, Dang-Zheng; Zinn-Justin, Paul

    2015-07-01

    The Raney numbers are a class of combinatorial numbers generalising the Fuss-Catalan numbers. They are indexed by a pair of positive real numbers (p, r) with p > 1 and 0 < r ⩽ p, and form the moments of a probability density function. For certain (p, r) the latter has the interpretation as the density of squared singular values for certain random matrix ensembles, and in this context equilibrium problems characterising the Raney densities for (p, r) = (θ + 1, 1) and (θ/2 + 1, 1/2) have recently been proposed. Using two different techniques—one based on the Wiener-Hopf method for the solution of integral equations and the other on an analysis of the algebraic equation satisfied by the Green's function—we establish the validity of the equilibrium problems for general θ > 0 and similarly use both methods to identify the equilibrium problem for (p, r) = (θ/q + 1, 1/q), θ > 0 and q \\in Z+ . The Wiener-Hopf method is used to extend the latter to parameters (p, r) = (θ/q + 1, m + 1/q) for m a non-negative integer, and also to identify the equilibrium problem for a family of densities with moments given by certain binomial coefficients.

  4. Understanding Thermal Equilibrium through Activities

    ERIC Educational Resources Information Center

    Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra

    2015-01-01

    Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 "Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education" pp 169-72) we

  5. Thermodynamic theory of equilibrium fluctuations

    NASA Astrophysics Data System (ADS)

    Mishin, Y.

    2015-12-01

    The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of non-equilibrium entropy, a fundamental equation of state in the entropy representation, and a fluctuation postulate describing the probability distribution of macroscopic parameters of an isolated system. Although these elements introduce a statistical component that does not exist in classical thermodynamics, the logical structure of the theory is different from that of statistical mechanics and represents an expanded version of thermodynamics. Based on this theory, we present a regular procedure for calculations of equilibrium fluctuations of extensive parameters, intensive parameters and densities in systems with any number of fluctuating parameters. The proposed fluctuation formalism is demonstrated by four applications: (1) derivation of the complete set of fluctuation relations for a simple fluid in three different ensembles; (2) fluctuations in finite-reservoir systems interpolating between the canonical and micro-canonical ensembles; (3) derivation of fluctuation relations for excess properties of grain boundaries in binary solid solutions, and (4) derivation of the grain boundary width distribution for pre-melted grain boundaries in alloys. The last two applications offer an efficient fluctuation-based approach to calculations of interface excess properties and extraction of the disjoining potential in pre-melted grain boundaries. Possible future extensions of the theory are outlined.

  6. An investigation of equilibrium concepts

    NASA Technical Reports Server (NTRS)

    Prozan, R. J.

    1982-01-01

    A different approach to modeling of the thermochemistry of rocket engine combustion phenomena is presented. The methodology described is based on the hypothesis of a new variational principle applicable to compressible fluid mechanics. This hypothesis is extended to treat the thermochemical behavior of a reacting (equilibrium) gas in an open system.

  7. DYNAMIC EQUILIBRIUM IN THERAPEUTIC SITUATIONS.

    ERIC Educational Resources Information Center

    CARROLL, EDWARD J.

    THE CONCEPT OF DYNAMIC EQUILIBRIUM IS USED TO EXAMINE THE OCCURRENCE OF CHANGE IN A THERAPEUTIC INTERVIEW AND TO PROPOSE A THEORY OF THERAPY. BY ANALYZING THE WORKINGS OF THE PSYCHOSOCIAL SYSTEM THROUGH THE GENERAL SYSTEMS THEORY, IT IS POSSIBLE TO SEE HOW CHANGE OCCURS IN AN INDIVIDUAL FAMILY OR COMMUNITY. APPLIED TO A FAMILY INTERVIEW, THE MODEL…

  8. Quantifying mixing using equilibrium reactions

    SciTech Connect

    Wheat, Philip M.; Posner, Jonathan D.

    2009-03-15

    A method of quantifying equilibrium reactions in a microchannel using a fluorometric reaction of Fluo-4 and Ca{sup 2+} ions is presented. Under the proper conditions, equilibrium reactions can be used to quantify fluid mixing without the challenges associated with constituent mixing measures such as limited imaging spatial resolution and viewing angle coupled with three-dimensional structure. Quantitative measurements of CaCl and calcium-indicating fluorescent dye Fluo-4 mixing are measured in Y-shaped microchannels. Reactant and product concentration distributions are modeled using Green's function solutions and a numerical solution to the advection-diffusion equation. Equilibrium reactions provide for an unambiguous, quantitative measure of mixing when the reactant concentrations are greater than 100 times their dissociation constant and the diffusivities are equal. At lower concentrations and for dissimilar diffusivities, the area averaged fluorescence signal reaches a maximum before the species have interdiffused, suggesting that reactant concentrations and diffusivities must be carefully selected to provide unambiguous, quantitative mixing measures. Fluorometric equilibrium reactions work over a wide range of pH and background concentrations such that they can be used for a wide variety of fluid mixing measures including industrial or microscale flows.

  9. The equilibrium shape of silicon

    NASA Astrophysics Data System (ADS)

    Bermond, J. M.; Métois, J. J.; Egéa, X.; Floret, F.

    1995-06-01

    In order to obtain the equilibrium shape of silicon, small monocrystalline silicon columns (diameter ˜ 1-5 μm, height ˜ 10 μm) have been formed on a silicon (111) substrate by photolithography. Indashsitu observation, in a UHV transmission electron microscope, of the shape changes of these columns upon heating them shows that the equilibrium shape of clean silicon can be installed over the apices, once the columns have become bulbous by evaporation and surface diffusion. Equilibrium profiles, along the <110> and <112> zones, have been visualised indashsitu at 1323 K, recorded and analysed. Well-characterised {111} and {113} facets exist on the equilibrium shape at this temperature. They are separated by rounded regions that display a tangential merging into the facets. Hence, all orientations belong to the equilibrium shape at 1323 K. The γ-plot has been constructed for the <110> zone. It shows cusps at <111> and <113> and rather broad minima at <110> and <100>. However, within the resolution of our micrographs, it is not possible to decide whether flat facets exist at <110> and <100> or whether the crystal surface is merely slightly rounded. The anisotropy of the surface specific free energy is found surprisingly weak (˜ 4% maximum). Within the experimental accuracy (˜ 1%), the hierarchy is γ111 ≥ γ110 > γ113 > γ100, the relative anisotropies with respect to {111} being 0.99, 0.98 and 0.97 for {110}, {113} and {100} respectively. An order of magnitude for the step-free energy β has been obtained ( β111 ≈ 3 × 10 -11J m -1, β113 ≈ 1 × 10 -11J m -1). Our results are compared to those obtained by other authors by using voids in silicon.

  10. Non-equilibrium cooling rate for a collisionally cooled metal-enriched gas

    NASA Astrophysics Data System (ADS)

    Vasiliev, Evgenii O.

    2013-05-01

    We present self-consistent calculations of non-equilibrium (time-dependent) cooling rates for a dust-free collisionally controlled gas in wide ranges of temperature (10 ≤ T ≤ 108 K) and metallicity (10-4 ≤ Z ≤ 2 Z⊙). We confirm that molecular hydrogen dominates cooling at 102 ≲ T ≲ 104 K and Z ≲ 10- 3 Z⊙. We find that the contribution from H2 into the cooling rate around T ˜ (4-5) × 103 K stimulates thermal instability in the metallicity range Z ≲ 10- 2 Z⊙. Isobaric cooling rates are generally lower than isochoric cooling rates, because the associated increase of gas density leads to both more efficient hydrogen recombination and equilibration of the fine-structure level populations. Isochoric cooling means that the ionization fraction remains quite high at T ≲ 104 K - up to ˜0.01 at T ≃ 103 K and Z ≲ 0.1 Z⊙, and even higher at higher metallicity - unlike isobaric cooling, where it is at least an order of magnitude lower. Despite this increase in ionization fraction, the gas-phase formation rate of molecular hydrogen (via H-) decreases with metallicity, because higher metallicity shortens the evolution time. We implement our self-consistent cooling rates into the multidimensional parallel code ZEUS-MP in order to simulate the evolution of a supernova remnant. We compare it to an analogous model with tabulated cooling rates published in previous studies. We find significant differences between the two descriptions, which might appear, for example, in the mixing of the ejected metals in the circumstellar medium.

  11. Non-Equilibrium Properties from Equilibrium Free Energy Calculations

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew; Wilson, Michael A.

    2012-01-01

    Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

  12. Phonon Mapping in Flowing Equilibrium

    NASA Astrophysics Data System (ADS)

    Ruff, J. P. C.

    2015-03-01

    When a material conducts heat, a modification of the phonon population occurs. The equilibrium Bose-Einstein distribution is perturbed towards flowing-equilibrium, for which the distribution function is not analytically known. Here I argue that the altered phonon population can be efficiently mapped over broad regions of reciprocal space, via diffuse x-ray scattering or time-of-flight neutron scattering, while a thermal gradient is applied across a single crystal sample. When compared to traditional transport measurements, this technique offers a superior, information-rich new perspective on lattice thermal conductivity, wherein the band and momentum dependences of the phonon thermal current are directly resolved. The proposed method is benchmarked using x-ray thermal diffuse scattering measurements of single crystal diamond under transport conditions. CHESS is supported by the NSF & NIH/NIGMS via NSF Award DMR-1332208.

  13. Korshunov instantons out of equilibrium

    NASA Astrophysics Data System (ADS)

    Titov, M.; Gutman, D. B.

    2016-04-01

    Zero-dimensional dissipative action possesses nontrivial minima known as Korshunov instantons. They have been known so far only for imaginary time representation that is limited to equilibrium systems. In this work we reconstruct and generalise Korshunov instantons using real-time Keldysh approach. This allows us to formulate the dissipative action theory for generic nonequilibrium conditions. Possible applications of the theory to transport in strongly biased quantum dots are discussed.

  14. Punctuated equilibrium comes of age

    NASA Astrophysics Data System (ADS)

    Gould, Stephan Jay; Eldredge, Niles

    1993-11-01

    The intense controversies that surrounded the youth of punctuated equilibrium have helped it mature to a useful extension of evolutionary theory. As a complement to phyletic gradualism, its most important implications remain the recognition of stasis as a meaningful and predominant pattern within the history of species, and in the recasting of macroevolution as the differential success of certain species (and their descendants) within clades.

  15. Long-term equilibrium tides

    NASA Astrophysics Data System (ADS)

    Shaffer, John A.; Cerveny, Randall S.

    1998-08-01

    Extreme equilibrium tides, or ``hypertides,'' are computed in a new equilibrium tidal model combining algorithms of a version of the Chapront ELP-2000/82 Lunar Theory with the BER78 Milankovitch astronomical expansions. For the recent past, a high correspondence exists between computed semidiurnal tide levels and a record of coastal flooding demonstrating that astronomical alignment is a potential influence on such flooding. For the Holocene and near future, maximum tides demonstrate cyclic variations with peaks at near 5000 B.P. and 4000 A.P. On the late Quaternary timescale, variations in maximum equilibrium tide level display oscillations with periods of approximately 10,000, 100,000 and 400,000 years, because of precessional shifts in tidal maxima between vernal and autumnal equinoxes. While flooding occurs under the combined effects of tides and storms via ``storm surges,'' the most extensive flooding will occur with the coincidence of storms and the rarer hypertides and is thus primarily influenced by hypertides. Therefore we suggest that astronomical alignment's relationship to coastal flooding is probabilistic rather than deterministic. Data derived from this model are applicable to (1) archaeological and paleoclimatic coastal reconstructions, (2) long-term planning, for example, radioactive waste site selection, (3) sealevel change and paleoestuarine studies or (4) ocean-meteorological interactions.

  16. Measurements of the Isobaric Specific Heat Capacity and Formulation of an Equation of State for Refrigerant 23 in the Gaseous Region

    NASA Astrophysics Data System (ADS)

    Takanuma, Akihiro; Uematsu, Masahiko; Watanabe, Koichi

    The isobaric specific heat capacity of Refrigerant 23 (CHF3) has been measured by the flow calorimeter. Forty-five measurements were obtained in the gaseous region for temperatures 253 to 383 K and for pressures 0.5 to 3.0 MPa including the region near the saturation line. The sample purity used was 99.99 wt%. The uncertainty of the measurements was estimated to be less than l.5%. Based on the present results in addition to the isobaric specific heat capacity at the ideal gas state, the second virial coefficients and the available PVT data, an equation of state has been formulated as a function of pressure and temperature for the region of the present study. The equation of state expressed by the form of Gibbs free energy reproduces the present results with an average deviation of l.0% and most of the available PVT data within a deviation of 1%.

  17. Elastic and Inelastic Scattering of Polarized Protons from LEAD-206 and LEAD-208 Near Isobaric Analog Resonances.

    NASA Astrophysics Data System (ADS)

    Back, Norman Lee

    Excitation functions have been measured for elastic scattering of polarized protons from ('206)Pb and ('208)Pb, and for inelastic scattering to collective states in ('206)Pb (2('+), 0.8033 MeV; 3('-), 2.647 MeV) and ('208)Pb (3(' -), 2.6145 MeV). Both differential cross sections and analyzing powers were measured at (theta)(,lab) = 120(DEGREES), 135(DEGREES), 150(DEGREES), and 165(DEGREES), for E(,p) = 14.25 to 18 MeV. Fits to the excitation-function data were obtained using scattering amplitudes consisting of sums of resonant and non-resonant parts. The resonances are the isobaric analogs (IARs) of 7 low-lying states in ('209)Pb and 35 in ('207)Pb. The fits to the elastic-scattering data are excellent; for the inelastic scattering the fit is very good for the 2('+) state but only fair for the 3('-) states. For each IAR, the energy, the total width, and the partial width and mixing phase in each channel were obtained. Also, new spin assignments were made for a number of parent states in ('207)Pb. The theory of Bund and Blair was used to find the spectroscopic amplitudes, which provide information on the wave functions for the parent states in ('207)Pb and ('209)Pb and for the 3('-) states in ('206)Pb and ('208)Pb. These spectroscopic amplitudes were then checked for internal consistency and compared with the results of other experiments and with theoretical predictions.

  18. Charge-Exchange Excitation of the Isobaric Analog State and Implication for the Nuclear Symmetry Energy and Neutron Skin

    NASA Astrophysics Data System (ADS)

    Khoa, Dao T.; Loc, Bui Minh; Zegers, R. G. T.

    The charge-exchange (p, n) or (3He,t) reaction can be considered as elastic scattering of proton or 3He by the isovector term of the optical potential that flips the projectile isospin. Therefore, the accurately measured charge-exchange scattering cross section for the isobaric analog states can be a good probe of the isospin dependence of the optical potential, which is determined exclusively within the folding model by the difference between the neutron and proton densities and isospin dependence of the nucleon-nucleon interaction. On the other hand, the same isospin- and density-dependent nucleon-nucleon interaction can also be used in a Hartree-Fock calculation of asymmetric nuclear matter, to estimate the nuclear matter energy and its asymmetry part. As a result, the fine-tuning of the isospin dependence of the effective nucleon-nucleon interaction against the measured (p, n) or (3He,t) cross sections should allow us to make some realistic prediction of the nuclear symmetry energy and its density dependence. Moreover, given the neutron skin of the target related directly to the neutron-proton difference of the ground-state density, it can be well probed in the analysis of the charge-exchange (3He,t) reactions at medium energies when the two-step processes can be neglected and the t-matrix interaction can be used in the folding calculation.

  19. Equilibrium and kinetics in metamorphism

    NASA Astrophysics Data System (ADS)

    Pattison, D. R.

    2012-12-01

    The equilibrium model for metamorphism is founded on the metamorphic facies principle, the repeated association of the same mineral assemblages in rocks of different bulk composition that have been metamorphosed together. Yet, for any metamorphic process to occur, there must be some degree of reaction overstepping (disequilibrium) to initiate reaction. The magnitude and variability of overstepping, and the degree to which it is either a relatively minor wrinkle or a more substantive challenge to the interpretation of metamorphic rocks using the equilibrium model, is an active area of current research. Kinetic barriers to reaction generally diminish with rising temperature due to the Arrhenius relation. In contrast, the rate of build-up of the macroscopic energetic driving force needed to overcome kinetic barriers to reaction, reaction affinity, does not vary uniformly with temperature, instead varying from reaction to reaction. High-entropy reactions that release large quantities of H2O build up reaction affinity more rapidly than low-entropy reactions that release little or no H2O, such that the former are expected to be overstepped less than the latter. Some consequences include: (1) metamorphic reaction intervals may be discrete rather than continuous, initiating at the point that sufficient reaction affinity has built up to overcome kinetic barriers; (2) metamorphic reaction intervals may not correspond in a simple way to reaction boundaries in an equilibrium phase diagram; (3) metamorphic reactions may involve metastable reactions; (4) metamorphic 'cascades' are possible, in which stable and metastable reactions involving the same reactant phases may proceed simultaneously; and (5) fluid generation, and possibly fluid presence in general, may be episodic rather than continuous, corresponding to discrete intervals of reaction. These considerations bear on the interpretation of P-T-t paths from metamorphic mineral assemblages and textures. The success of the metamorphic facies principle suggests that these effects are second-order features that operate within a broadly equilibrium approach to metamorphism. However, it may be that the close approach to equilibrium occurs primarily at the boundaries between the metamorphic facies, corresponding to relatively discrete intervals of reaction involving consumption of hydrous phases.

  20. Angular distributions for the double isobaric analog and a T< state at high excitation in pion double charge exchange on 93Nb

    NASA Astrophysics Data System (ADS)

    Moore, C. Fred; Johnson, K.; Kahrimanis, G. P.; McDonald, James; Snell, M.; Ward, H. J.; Yoo, Sung Hoon; Morris, C. L.; Mordechai, S.; Burlein, M.; Claytor, N.; Fortune, H. T.; Ivie, R.; Liu, G. B.; O'donnell, J. M.; Smith, D.; Auerbach, N.; Robson, D.

    1991-11-01

    The double isobaric analog state ||IAS⊗⊗IAS> and a new resonance below the ||IAS⊗IAS> have been observed in pion-induced double-charge-exchange reactions on 93Nb. Angular distributions have been measured for both transitions. The cross section observed in the T< resonance is 21% of that for the ||IAS⊗IAS> in 93Tc. We mention various possibilities for the nature of the observed resonance but have no unique explanation for its large cross section.

  1. Vapor-liquid coexistence curves in the critical region and the critical temperatures and densities of 1,1,1,2-tetrafluoroethane (R-134a), 1,1,1-trifluoroethane (R-143a), and 1,1,1,2,3,3-hexafluoropropane (R-236ea)

    SciTech Connect

    Aoyama, H.; Kishizawa, G.; Sato, H.; Watanabe, K.

    1996-09-01

    The vapor-liquid coexistence curves in the critical region of 1,1,1,2-tetrafluoroethane (R-134a), 1,1,1-trifluoroethane (R-143a), and 1,1,1,2,3,3-hexafluoropropane (R-236ea) were measured by a visual observation of the meniscus disappearance in an optical cell. Seventeen saturated-vapor and -liquid densities have been measured for R-134a. Thirty-five saturated-vapor and -liquid densities have been measured for R-143a. Twenty-seven saturated-vapor and -liquid densities have been measured for R-236ea. The level and location of the meniscus, as well as the intensity of the critical opalescence were considered in the determination of the critical temperature and density for each fluid. R-134a was found to have (374.083 {+-} 0.010) K and (509 {+-} 1) kg/m{sup 3}, R-143a, (345.860 {+-} 0.010) K and (434 {+-} 1) kg/m{sup 3}, and R-236ea, (412.375 {+-} 0.015) K and (568 {+-} 1) kg/m{sup 3}.

  2. Torque equilibrium attitude control for Skylab reentry

    NASA Technical Reports Server (NTRS)

    Glaese, J. R.; Kennel, H. F.

    1979-01-01

    All the available torque equilibrium attitudes (most were useless from the standpoint of lack of electrical power) and the equilibrium seeking method are presented, as well as the actual successful application during the 3 weeks prior to Skylab reentry.

  3. Equilibrium Reconstruction in Stellarators: V3FIT

    NASA Astrophysics Data System (ADS)

    Hanson, James D.; Knowlton, S. F.; Hirshman, S. P.; Lazarus, E. A.; Lao, L. L.

    2004-11-01

    Equilibrium reconstruction is a crucial capability in the interpretation of tokamak experiments. As stellarator plasma beta or bootstrap currents increase, the configuration of flux surfaces deviates further from that of the vacuum, and reconstruction becomes necessary to determine the equilibrium state. V3FIT is the stellarator equilibrium reconstruction code that we are writing. It is designed to be 1) fast, 2) flexible, and 3) easy to modify. To make it fast, we are closely coupling the equilibrium reconstruction iterations with the equilibrium convergence iterations. To make it flexible, the code is designed to be able to work with different equilibrium codes, and with multiple types of diagnostics. Initially, we will use VMEC as the equilibrium code, and magnetic diagnostics as the primary type of experimental information about the equilibrium. To make V3FIT easy to modify, we are writing the code in Fortran 95, and making extensive use of modules and derived data types.

  4. Accelerating Multiagent Reinforcement Learning by Equilibrium Transfer.

    PubMed

    Hu, Yujing; Gao, Yang; An, Bo

    2015-07-01

    An important approach in multiagent reinforcement learning (MARL) is equilibrium-based MARL, which adopts equilibrium solution concepts in game theory and requires agents to play equilibrium strategies at each state. However, most existing equilibrium-based MARL algorithms cannot scale due to a large number of computationally expensive equilibrium computations (e.g., computing Nash equilibria is PPAD-hard) during learning. For the first time, this paper finds that during the learning process of equilibrium-based MARL, the one-shot games corresponding to each state's successive visits often have the same or similar equilibria (for some states more than 90% of games corresponding to successive visits have similar equilibria). Inspired by this observation, this paper proposes to use equilibrium transfer to accelerate equilibrium-based MARL. The key idea of equilibrium transfer is to reuse previously computed equilibria when each agent has a small incentive to deviate. By introducing transfer loss and transfer condition, a novel framework called equilibrium transfer-based MARL is proposed. We prove that although equilibrium transfer brings transfer loss, equilibrium-based MARL algorithms can still converge to an equilibrium policy under certain assumptions. Experimental results in widely used benchmarks (e.g., grid world game, soccer game, and wall game) show that the proposed framework: 1) not only significantly accelerates equilibrium-based MARL (up to 96.7% reduction in learning time), but also achieves higher average rewards than algorithms without equilibrium transfer and 2) scales significantly better than algorithms without equilibrium transfer when the state/action space grows and the number of agents increases. PMID:25181517

  5. Princeton spectral equilibrium code: PSEC

    SciTech Connect

    Ling, K.M.; Jardin, S.C.

    1984-03-01

    A fast computer code has been developed to calculate free-boundary solutions to the plasma equilibrium equation that are consistent with the currents in external coils and conductors. The free-boundary formulation is based on the minimization of a mean-square error epsilon while the fixed-boundary solution is based on a variational principle and spectral representation of the coordinates x(psi,theta) and z(psi,theta). Specific calculations using the Columbia University Torus II, the Poloidal Divertor Experiment (PDX), and the Tokamak Fusion Test Reactor (TFTR) geometries are performed.

  6. Conformations of Proteins in Equilibrium

    NASA Astrophysics Data System (ADS)

    Micheletti, Cristian; Banavar, Jayanth R.; Maritan, Amos

    2001-08-01

    We introduce a simple theoretical approach for an equilibrium study of proteins with known native-state structures. We test our approach with results on well-studied globular proteins, chymotrypsin inhibitor (2ci2), barnase, and the alpha spectrin SH3 domain, and present evidence for a hierarchical onset of order on lowering the temperature with significant organization at the local level even at high temperatures. A further application to the folding process of HIV-1 protease shows that the model can be reliably used to identify key folding sites that are responsible for the development of drug resistance.

  7. Conformations of Proteins in Equilibrium

    SciTech Connect

    Micheletti, Cristian; Banavar, Jayanth R.; Maritan, Amos

    2001-08-20

    We introduce a simple theoretical approach for an equilibrium study of proteins with known native-state structures. We test our approach with results on well-studied globular proteins, chymotrypsin inhibitor (2ci2), barnase, and the alpha spectrin SH3 domain, and present evidence for a hierarchical onset of order on lowering the temperature with significant organization at the local level even at high temperatures. A further application to the folding process of HIV-1 protease shows that the model can be reliably used to identify key folding sites that are responsible for the development of drug resistance.

  8. Thermal equilibrium in Einstein's elevator.

    PubMed

    Sánchez-Rey, Bernardo; Chacón-Acosta, Guillermo; Dagdug, Leonardo; Cubero, David

    2013-05-01

    We report fully relativistic molecular-dynamics simulations that verify the appearance of thermal equilibrium of a classical gas inside a uniformly accelerated container. The numerical experiments confirm that the local momentum distribution in this system is very well approximated by the Jüttner function-originally derived for a flat spacetime-via the Tolman-Ehrenfest effect. Moreover, it is shown that when the acceleration or the container size is large enough, the global momentum distribution can be described by the so-called modified Jüttner function, which was initially proposed as an alternative to the Jüttner function. PMID:23767501

  9. Equilibrium Sampling in Biomolecular Simulation

    PubMed Central

    2015-01-01

    Equilibrium sampling of biomolecules remains an unmet challenge after more than 30 years of atomistic simulation. Efforts to enhance sampling capability, which are reviewed here, range from the development of new algorithms to parallelization to novel uses of hardware. Special focus is placed on classifying algorithms — most of which are underpinned by a few key ideas — in order to understand their fundamental strengths and limitations. Although algorithms have proliferated, progress resulting from novel hardware use appears to be more clear-cut than from algorithms alone, partly due to the lack of widely used sampling measures. PMID:21370970

  10. Pre-equilibrium plasma dynamics

    SciTech Connect

    Heinz, U.

    1986-01-01

    Approaches towards understanding and describing the pre-equilibrium stage of quark-gluon plasma formation in heavy-ion collisions are reviewed. Focus is on a kinetic theory approach to non-equilibrium dynamics, its extension to include the dynamics of color degrees of freedom when applied to the quark-gluon plasma, its quantum field theoretical foundations, and its relationship to both the particle formation stage at the very beginning of the nuclear collision and the hydrodynamic stage at late collision times. The usefulness of this approach to obtain the transport coefficients in the quark-gluon plasma and to derive the collective mode spectrum and damping rates in this phase are discussed. Comments are made on the general difficulty to find appropriated initial conditions to get the kinetic theory started, and a specific model is given that demonstrates that, once given such initial conditions, the system can be followed all the way through into the hydrodynamical regime. 39 refs., 7 figs. (LEW)

  11. Non-equilibrium phase transitions

    SciTech Connect

    Mottola, E.; Cooper, F.M.; Bishop, A.R.; Habib, S.; Kluger, Y.; Jensen, N.G.

    1998-12-31

    This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Non-equilibrium phase transitions play a central role in a very broad range of scientific areas, ranging from nuclear, particle, and astrophysics to condensed matter physics and the material and biological sciences. The aim of this project was to explore the path to a deeper and more fundamental understanding of the common physical principles underlying the complex real time dynamics of phase transitions. The main emphasis was on the development of general theoretical tools to deal with non-equilibrium processes, and of numerical methods robust enough to capture the time-evolving structures that occur in actual experimental situations. Specific applications to Laboratory multidivisional efforts in relativistic heavy-ion physics (transition to a new phase of nuclear matter consisting of a quark-gluon plasma) and layered high-temperature superconductors (critical currents and flux flow at the National High Magnetic Field Laboratory) were undertaken.

  12. X-ray continuum as a measure of pressure and fuel-shell mix in compressed isobaric hydrogen implosion cores

    NASA Astrophysics Data System (ADS)

    Epstein, R.; Goncharov, V. N.; Marshall, F. J.; Betti, R.; Nora, R.; Christopherson, A. R.; Golovkin, I. E.; MacFarlane, J. J.

    2015-02-01

    Pressure, by definition, characterizes the conditions within an isobaric implosion core at peak compression [Gus'kov et al., Nucl. Fusion 16, 957 (1976); Betti et al., Phys. Plasmas 8, 5257 (2001)] and is a key parameter in quantifying its near-ignition performance [Lawson, Proc. Phys. Soc. London, B 70, 6 (1957); Betti et al., Phys. Plasmas 17, 058102 (2010); Goncharov et al., Phys. Plasmas 21, 056315 (2014); and Glenzer et al., Phys. Plasmas 19, 056318 (2012)]. At high spectral energy, where the x-ray emission from an imploded hydrogen core is optically thin, the emissivity profile can be inferred from the spatially resolved core emission. This emissivity, which can be modeled accurately under hot-core conditions, is dependent almost entirely on the pressure when measured within a restricted spectral range matched to the temperature range anticipated for the emitting volume. In this way, the hot core pressure at the time of peak emission can be inferred from the measured free-free emissivity profile. The pressure and temperature dependences of the x-ray emissivity and the neutron-production rate explain a simple scaling of the total filtered x-ray emission as a constant power of the total neutron yield for implosions of targets of similar design over a broad range of shell implosion isentropes. This scaling behavior has been seen in implosion simulations and is confirmed by measurements of high-isentrope implosions [Sangster et al., Phys. Plasmas 20, 056317 (2013)] on the OMEGA laser system [Boehly et al., Opt. Commun. 133, 495 (1997)]. Attributing the excess emission from less-stable, low-isentrope implosions, above the level expected from this neutron-yield scaling, to the higher emissivity of shell carbon mixed into the implosion's central hot spot, the hot-spot "fuel-shell" mix mass can be inferred.

  13. High-Field Asymmetric-Waveform Ion Mobility Spectrometry and Electron Detachment Dissociation of Isobaric Mixtures of Glycosaminoglycans

    PubMed Central

    Kailemia, Muchena J.; Park, Melvin; Kaplan, Desmond A.; Venot, Andre; Boons, Geert-Jan; Li, Lingyun; Linhardt, Robert J.; Amster, I. Jonathan

    2014-01-01

    High-field asymmetric waveform ion mobility spectrometry (FAIMS) is shown to be capable of resolving isomeric and isobaric glycosaminoglycan negative ions, and to have great utility for the analysis of this class of molecules when combined with Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) and tandem mass spectrometry. Electron detachment dissociation (EDD) and other ion activation methods for tandem mass spectrometry can be used to determine the sites of labile sulfate modifications and for assigning the stereochemistry of hexuronic acid residues of GAGs. However, mixtures with overlapping mass-to-charge values present a challenge, as their precursor species cannot be resolved by a mass analyzer prior to ion activation. FAIMS is shown to resolve two types of mass-to-charge overlaps. A mixture of chondroitin sulfate A (CSA) oligomers with 4–10 saccharides units produces ions of a single mass-to-charge by electrospray ionization, as the charge state increases in direct proportion to the degree of polymerization for these sulfated carbohydrates. FAIMS is shown to resolve the overlapping charge. A more challenging type of mass-to-charge overlap occurs for mixtures of diastereomers. FAIMS is shown to separate two sets of epimeric GAG tetramers. For the epimer pairs, the complexity of the separation is reduced when the reducing end is alkylated, suggesting that anomers are also resolved by FAIMS. The resolved components were activated by EDD and the fragment ions were analyzed by FTICR-MS. The resulting tandem mass spectra were able to distinguish the two epimers from each other. PMID:24254578

  14. High-Field Asymmetric-Waveform Ion Mobility Spectrometry and Electron Detachment Dissociation of Isobaric Mixtures of Glycosaminoglycans

    NASA Astrophysics Data System (ADS)

    Kailemia, Muchena J.; Park, Melvin; Kaplan, Desmond A.; Venot, Andre; Boons, Geert-Jan; Li, Lingyun; Linhardt, Robert J.; Amster, I. Jonathan

    2013-11-01

    High-field asymmetric waveform ion mobility spectrometry (FAIMS) is shown to be capable of resolving isomeric and isobaric glycosaminoglycan negative ions and to have great utility for the analysis of this class of molecules when combined with Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) and tandem mass spectrometry. Electron detachment dissociation (EDD) and other ion activation methods for tandem mass spectrometry can be used to determine the sites of labile sulfate modifications and for assigning the stereochemistry of hexuronic acid residues of glycosaminoglycans (GAGs). However, mixtures with overlapping mass-to-charge values present a challenge, as their precursor species cannot be resolved by a mass analyzer prior to ion activation. FAIMS is shown to resolve two types of mass-to-charge overlaps. A mixture of chondroitin sulfate A (CSA) oligomers with 4-10 saccharides units produces ions of a single mass-to-charge by electrospray ionization, as the charge state increases in direct proportion to the degree of polymerization for these sulfated carbohydrates. FAIMS is shown to resolve the overlapping charge. A more challenging type of mass-to-charge overlap occurs for mixtures of diastereomers. FAIMS is shown to separate two sets of epimeric GAG tetramers. For the epimer pairs, the complexity of the separation is reduced when the reducing end is alkylated, suggesting that anomers are also resolved by FAIMS. The resolved components were activated by EDD and the fragment ions were analyzed by FTICR-MS. The resulting tandem mass spectra were able to distinguish the two epimers from each other.

  15. High precision Pu isotope ratios using MC-ICPMS equipped with collision-cell technology to suppress U isobaric interferences

    NASA Astrophysics Data System (ADS)

    Granet, M.; Isnard, H.; Nonell, A.; Quidelleur, S.; Chartier, F.

    2009-04-01

    The measurement of Pu isotope ratios is of prime interest in both the environmental and nuclear research fields. First, new chronometric tracers need to be developed in order to understand and quantify the mechanisms and time-scales controlling the landscape evolution since it gives informations on climatic variations. Additionally, the analysis of Pu isotopes after irradiation of 235U is required in the transmutation field in order to determine basic neutronic data such as cross sections and reaction rates. High precision isotope ratios measurements are usually performed with sector field mass spectrometers, either by Thermal Ionization Mass Spectrometry (TIMS) or by Multiple Collection Inductively Coupled Plasma Mass Spectrometry (MC-ICP-MS). One of the major drawbacks in analysing Pu isotopes is the occurrence of U isobaric interferences: 238U-238Pu and 238UH+-239Pu. Here we propose to suppress these interferences by adding reactive gases in the collision-reaction cell of the MC-ICP-MS (Isoprobe, GV Instruments, Manchester, UK). The difference of reactivity for U and Pu towards these gases allows the measurement of Pu isotopes with precision and accuracy similar to those obtained after a previous chemical separation of Pu from U using anion-exchange resin. This study thus confirms that collision-reaction cells are powerful tools to perform isotopic measurements of soils, river sediments or irradiated materials without former systematic chemical separations as U interferences are completely removed in situ. References Granet et al. (2008), Spectrochimica Acta Part B 63, 1309-1314. Moureau et al. (2008), JAAS 23, 1538-1544.

  16. A Quantitative Tool to Distinguish Isobaric Leucine and Isoleucine Residues for Mass Spectrometry-Based De Novo Monoclonal Antibody Sequencing

    NASA Astrophysics Data System (ADS)

    Poston, Chloe N.; Higgs, Richard E.; You, Jinsam; Gelfanova, Valentina; Hale, John E.; Knierman, Michael D.; Siegel, Robert; Gutierrez, Jesus A.

    2014-07-01

    De novo sequencing by mass spectrometry (MS) allows for the determination of the complete amino acid (AA) sequence of a given protein based on the mass difference of detected ions from MS/MS fragmentation spectra. The technique relies on obtaining specific masses that can be attributed to characteristic theoretical masses of AAs. A major limitation of de novo sequencing by MS is the inability to distinguish between the isobaric residues leucine (Leu) and isoleucine (Ile). Incorrect identification of Ile as Leu or vice versa often results in loss of activity in recombinant antibodies. This functional ambiguity is commonly resolved with costly and time-consuming AA mutation and peptide sequencing experiments. Here, we describe a set of orthogonal biochemical protocols, which experimentally determine the identity of Ile or Leu residues in monoclonal antibodies (mAb) based on the selectivity that leucine aminopeptidase shows for n-terminal Leu residues and the cleavage preference for Leu by chymotrypsin. The resulting observations are combined with germline frequencies and incorporated into a logistic regression model, called Predictor for Xle Sites (PXleS) to provide a statistical likelihood for the identity of Leu at an ambiguous site. We demonstrate that PXleS can generate a probability for an Xle site in mAbs with 96% accuracy. The implementation of PXleS precludes the expression of several possible sequences and, therefore, reduces the overall time and resources required to go from spectra generation to a biologically active sequence for a mAb when an Ile or Leu residue is in question.

  17. X-ray continuum as a measure of pressure and fuel–shell mix in compressed isobaric hydrogen implosion cores

    SciTech Connect

    Epstein, R.; Goncharov, V. N.; Marshall, F. J.; Betti, R.; Nora, R.; Christopherson, A. R.; Golovkin, I. E.; MacFarlane, J. J.

    2015-02-15

    Pressure, by definition, characterizes the conditions within an isobaric implosion core at peak compression [Gus'kov et al., Nucl. Fusion 16, 957 (1976); Betti et al., Phys. Plasmas 8, 5257 (2001)] and is a key parameter in quantifying its near-ignition performance [Lawson, Proc. Phys. Soc. London, B 70, 6 (1957); Betti et al., Phys. Plasmas 17, 058102 (2010); Goncharov et al., Phys. Plasmas 21, 056315 (2014); and Glenzer et al., Phys. Plasmas 19, 056318 (2012)]. At high spectral energy, where the x-ray emission from an imploded hydrogen core is optically thin, the emissivity profile can be inferred from the spatially resolved core emission. This emissivity, which can be modeled accurately under hot-core conditions, is dependent almost entirely on the pressure when measured within a restricted spectral range matched to the temperature range anticipated for the emitting volume. In this way, the hot core pressure at the time of peak emission can be inferred from the measured free-free emissivity profile. The pressure and temperature dependences of the x-ray emissivity and the neutron-production rate explain a simple scaling of the total filtered x-ray emission as a constant power of the total neutron yield for implosions of targets of similar design over a broad range of shell implosion isentropes. This scaling behavior has been seen in implosion simulations and is confirmed by measurements of high-isentrope implosions [Sangster et al., Phys. Plasmas 20, 056317 (2013)] on the OMEGA laser system [Boehly et al., Opt. Commun. 133, 495 (1997)]. Attributing the excess emission from less-stable, low-isentrope implosions, above the level expected from this neutron-yield scaling, to the higher emissivity of shell carbon mixed into the implosion's central hot spot, the hot-spot “fuel–shell” mix mass can be inferred.

  18. Are the Concepts of Dynamic Equilibrium and the Thermodynamic Criteria for Spontaneity, Nonspontaneity, and Equilibrium Compatible?

    ERIC Educational Resources Information Center

    Silverberg, Lee J.; Raff, Lionel M.

    2015-01-01

    Thermodynamic spontaneity-equilibrium criteria require that in a single-reaction system, reactions in either the forward or reverse direction at equilibrium be nonspontaneous. Conversely, the concept of dynamic equilibrium holds that forward and reverse reactions both occur at equal rates at equilibrium to the extent allowed by kinetic

  19. Are the Concepts of Dynamic Equilibrium and the Thermodynamic Criteria for Spontaneity, Nonspontaneity, and Equilibrium Compatible?

    ERIC Educational Resources Information Center

    Silverberg, Lee J.; Raff, Lionel M.

    2015-01-01

    Thermodynamic spontaneity-equilibrium criteria require that in a single-reaction system, reactions in either the forward or reverse direction at equilibrium be nonspontaneous. Conversely, the concept of dynamic equilibrium holds that forward and reverse reactions both occur at equal rates at equilibrium to the extent allowed by kinetic…

  20. Thermodynamic equilibrium at heterogeneous pressure

    NASA Astrophysics Data System (ADS)

    Vrijmoed, Johannes C.; Podladchikov, Yuri Y.

    2014-05-01

    Recent advances in metamorphic petrology point out the importance of grain-scale pressure variations in high-temperature metamorphic rocks. Pressures derived from chemical zonation using unconventional geobarometry based on equal chemical potentials fit mechanically feasible pressure variations. Here a thermodynamic equilibrium method is presented that predicts chemical zoning as a result of pressure variations by Gibbs energy minimization. Equilibrium thermodynamic prediction of the chemical zoning in the case of pressure heterogeneity is done by constraint Gibbs minimization using linear programming techniques. Compositions of phases considered in the calculation are discretized into 'pseudo-compounds' spanning the entire compositional space. Gibbs energies of these discrete compounds are generated for a given range and resolution of pressures for example derived by barometry or from mechanical model predictions. Gibbs energy minimization is subsequently performed considering all compounds of different composition and pressure. In addition to constraining the system composition a certain proportion of the system is constraint at a specified pressure. Input pressure variations need to be discretized and each discrete pressure defines an additional constraint for the minimization. The proportion of the system at each different pressure is equally distributed over the number of input pressures. For example if two input pressures P1 and P2 are specified, two constraints are added: 50 percent of the system is constraint at P1 while the remaining 50 percent is constraint at P2. The method has been tested for a set of 10 input pressures obtained by Tajčmanová et al. (2014) using their unconventional geobarometry method in a plagioclase rim around kyanite. Each input pressure is added as constraint to the minimization (1/10 percent of the system for each discrete pressure). Constraining the system composition to the average composition of the plagioclase rim successfully predicts the observed chemical zoning. In conclusion, Gibbs minimization provides identical results to the geobarometry approach based on chemical potentials thus validating the inferred pressure gradient. The thermodynamic consistency of the calculation is supported by the similar result obtained from two different approaches. Reference: Tajčmanová, L., Podladchikov, Y., Powell, R., Moulas, E., Vrijmoed, J. C. & Connolly, J. A. D. (2014). Grain scale pressure variations and chemical equilibrium in high-grade metamorphic rocks. Journal of Metamorphic Geology, (in press).

  1. Neoclassical equilibrium in gyrokinetic simulations

    SciTech Connect

    Garbet, X.; Dif-Pradalier, G.; Nguyen, C.; Sarazin, Y.; Grandgirard, V.; Ghendrih, Ph.

    2009-06-15

    This paper presents a set of model collision operators, which reproduce the neoclassical equilibrium and comply with the constraints of a full-f global gyrokinetic code. The assessment of these operators is based on an entropy variational principle, which allows one to perform a fast calculation of the neoclassical diffusivity and poloidal velocity. It is shown that the force balance equation is recovered at lowest order in the expansion parameter, the normalized gyroradius, hence allowing one to calculate correctly the radial electric field. Also, the conventional neoclassical transport and the poloidal velocity are reproduced in the plateau and banana regimes. The advantages and drawbacks of the various model operators are discussed in view of the requirements for neoclassical and turbulent transport.

  2. Local non-equilibrium thermodynamics

    PubMed Central

    Jinwoo, Lee; Tanaka, Hajime

    2015-01-01

    Local Shannon entropy lies at the heart of modern thermodynamics, with much discussion of trajectory-dependent entropy production. When taken at both boundaries of a process in phase space, it reproduces the second law of thermodynamics over a finite time interval for small scale systems. However, given that entropy is an ensemble property, it has never been clear how one can assign such a quantity locally. Given such a fundamental omission in our knowledge, we construct a new ensemble composed of trajectories reaching an individual microstate, and show that locally defined entropy, information, and free energy are properties of the ensemble, or trajectory-independent true thermodynamic potentials. We find that the Boltzmann-Gibbs distribution and Landauer's principle can be generalized naturally as properties of the ensemble, and that trajectory-free state functions of the ensemble govern the exact mechanism of non-equilibrium relaxation. PMID:25592077

  3. Equilibrium calculations of firework mixtures

    SciTech Connect

    Hobbs, M.L.; Tanaka, Katsumi; Iida, Mitsuaki; Matsunaga, Takehiro

    1994-12-31

    Thermochemical equilibrium calculations have been used to calculate detonation conditions for typical firework components including three report charges, two display charges, and black powder which is used as a fuse or launch charge. Calculations were performed with a modified version of the TIGER code which allows calculations with 900 gaseous and 600 condensed product species at high pressure. The detonation calculations presented in this paper are thought to be the first report on the theoretical study of firework detonation. Measured velocities for two report charges are available and compare favorably to predicted detonation velocities. However, the measured velocities may not be true detonation velocities. Fast deflagration rather than an ideal detonation occurs when reactants contain significant amounts of slow reacting constituents such as aluminum or titanium. Despite such uncertainties in reacting pyrotechnics, the detonation calculations do show the complex nature of condensed phase formation at elevated pressures and give an upper bound for measured velocities.

  4. Vadose zone isobaric well

    DOEpatents

    Hubbell, Joel M.; Sisson, James B.

    2001-01-01

    A deep tensiometer is configured with an outer guide tube having a vented interval along a perforate section at its lower end, which is isolated from atmospheric pressure at or above grade. A transducer having a monitoring port and a reference port is located within a coaxial inner guide tube. The reference port of the transducer is open to the vented interval of the outer guide tube, which has the same gas pressure as in the sediment surrounding the tensiometer. The reference side of the pressure transducer is thus isolated from the effects of atmospheric pressure changes and relative to pressure changes in the material surrounding the tensiometer measurement location and so it is automatically compensated for such pressure changes.

  5. Isobar separation of 93Zr and 93Nb at 24 MeV with a new multi-anode ionization chamber

    NASA Astrophysics Data System (ADS)

    Martschini, Martin; Buchriegler, Josef; Collon, Philippe; Kutschera, Walter; Lachner, Johannes; Lu, Wenting; Priller, Alfred; Steier, Peter; Golser, Robin

    2015-10-01

    93Zr with a half-life of 1.6 Ma is produced with high yield in nuclear fission, and thus should be present as a natural or anthropogenic trace isotope in all compartments of the general environment. Sensitive measurements of this isotope would immediately find numerous applications, however, its detection at sufficiently low levels has not yet been achieved. AMS measurements of 93Zr suffer from the interference of the stable isobar 93Nb. At the Vienna Environmental Research Accelerator VERA a new multi-anode ionization chamber was built. It is optimized for isobar separation in the medium mass range and is based on the experience from AMS experiments of 36Cl at our 3-MV tandem accelerator facility. The design provides high flexibility in anode configuration and detector geometry. After validating the excellent energy resolution of the detector with 36S, it was recently used to study iron-nickel and zirconium-niobium-molybdenum isobar separation. To our surprise, the separation of 94Zr (Z = 40) from 94Mo (Z = 42) was found to be much better than that of 58Fe (Z = 26) from 58Ni (Z = 28), despite the significantly larger ΔZ/Z of the latter pair. This clearly contradicts results from SRIM-simulations and suggests that differences in the stopping behavior may unexpectedly favor identification of 93Zr. At 24 MeV particle energy, a 93Nb (Z = 41) suppression factor of 1000 is expected based on a synthetic 93Zr spectrum obtained by interpolation between experimental spectra from the two neighboring stable isotopes 92Zr and 94Zr. Assuming realistic numbers for chemical niobium reduction, a detection level of 93Zr/Zr below 10-9 seems feasible.

  6. Simultaneous quantification of protein phosphorylation sites using liquid chromatography-tandem mass spectrometry-based targeted proteomics: a linear algebra approach for isobaric phosphopeptides.

    PubMed

    Xu, Feifei; Yang, Ting; Sheng, Yuan; Zhong, Ting; Yang, Mi; Chen, Yun

    2014-12-01

    As one of the most studied post-translational modifications (PTM), protein phosphorylation plays an essential role in almost all cellular processes. Current methods are able to predict and determine thousands of phosphorylation sites, whereas stoichiometric quantification of these sites is still challenging. Liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS)-based targeted proteomics is emerging as a promising technique for site-specific quantification of protein phosphorylation using proteolytic peptides as surrogates of proteins. However, several issues may limit its application, one of which relates to the phosphopeptides with different phosphorylation sites and the same mass (i.e., isobaric phosphopeptides). While employment of site-specific product ions allows for these isobaric phosphopeptides to be distinguished and quantified, site-specific product ions are often absent or weak in tandem mass spectra. In this study, linear algebra algorithms were employed as an add-on to targeted proteomics to retrieve information on individual phosphopeptides from their common spectra. To achieve this simultaneous quantification, a LC-MS/MS-based targeted proteomics assay was first developed and validated for each phosphopeptide. Given the slope and intercept of calibration curves of phosphopeptides in each transition, linear algebraic equations were developed. Using a series of mock mixtures prepared with varying concentrations of each phosphopeptide, the reliability of the approach to quantify isobaric phosphopeptides containing multiple phosphorylation sites (≥ 2) was discussed. Finally, we applied this approach to determine the phosphorylation stoichiometry of heat shock protein 27 (HSP27) at Ser78 and Ser82 in breast cancer cells and tissue samples. PMID:25403019

  7. Rare evidence for formation of garnet + corundum during isobaric cooling of ultrahigh temperature metapelites: New insights for retrograde P-T trajectory of the Highland Complex, Sri Lanka

    NASA Astrophysics Data System (ADS)

    Dharmapriya, P. L.; Malaviarachchi, Sanjeeva P. K.; Galli, Andrea; Su, Ben-Xun; Subasinghe, N. D.; Dissanayake, C. B.

    2015-04-01

    We report the occurrence of coexisting garnet + corundum in spinel- and corundum-bearing, garnet-sillimanite-biotite-graphite gneiss (pelitic granulites) from the Highland Complex (HC), Sri Lanka. In the investigated pelitic granulites, two domains such as quartz-saturated and quartz-undersaturated are distinguishable. The quartz-saturated domains consist of porphyroblastic garnet, quartz, plagioclase, alkali-feldspar and biotite flakes rimming garnet. The quartz-undersaturated domains are constituted of two generations of garnet (Grt1 and Grt2), sillimanite, plagioclase, alkali-feldspar, corundum, spinel and biotite. Grt1 encloses rare Ti-rich biotite and numerous rutile needles and apatite rods. Grt2 contains rare sillimanite and/or spinel inclusions. Corundum occurs in mutual contact with Grt2, partially embedded at the rim or as an inclusions in Grt2. Thermobarometry on inclusion phases in Grt1 indicates that during the prograde history pelitic granulites attained a P of 10.5-11 kbar at T of ~ 850 °C. Textural observations coupled with both pseudosections calculated in the NCKFMASHTMnO system and Ti-in-Garnet geothermobarometry suggest that peak metamorphism occurred at ultrahigh temperature (UHT) conditions of 950-975 °C and pressures of 9-9.5 kbar. Peak T was followed by a period of isobaric cooling that formed corundum and Grt2 at approx. 930 °C along with exsolution of rutile needles and apatite rods in Grt1. Thermodynamic modelling confirms that corundum appears along an isobaric cooling path at about 920-930 °C and 9-9.5 kbar. Therefore, the investigated granulites provide a rare example of post-peak crystallization of garnet + corundum along a retrograde metamorphic trajectory under UHT conditions. Thus, isobaric cooling at the base of the crust could be regarded as an alternative process to form coexisting garnet + corundum.

  8. Measurement and isobar-model analysis of the doubly differential cross section for the. pi. /sup +/ produced in. pi. /sup -/p. -->. pi. /sup +/. pi. /sup -/n

    SciTech Connect

    Manley, D.M.

    1981-11-01

    The doubly differential cross section d/sup 2/sigma/d..cap omega..dT for ..pi../sup +/ mesons produced in the reaction ..pi../sup -/p ..-->.. ..pi../sup +/..pi../sup -/n was measured at 203, 230, 256, and 358 MeV with a single-arm magnetic spectrometer. A set of five previous measurements at 254, 280, 292, 331, and 356 MeV was reanalyzed with the new measurements. Integrated cross sections were calculated for the combined data set with unprecedented accuracy for this energy range. The chiral-symmetry-breaking parameter was determined to be epsilon = -0.03 +- 0.26 by extrapolating the mean square modulus of the matrix element to threshold and comparing the threshold matrix element with the prediction of soft-pion theory. This value of epsilon is consistent with zero as required by the Weinberg Lagrangian. Measurements at the three highest energies were compared with the results of an isobar-model analysis of bubble-chamber events by an LBL-SLAC collaboration. After allowing for an overall normalization difference, the measurements at 331 and 358 MeV were in excellent agreement with the results of their analysis. The measurement at 292 MeV required variation of the PS11(epsilonN) amplitude, as well as the overall normalization, which could be due to the limited number of bubble-chamber events available for the LBL-SLAC analysis at this energy. A partial-wave analysis of the measurements was also carried out with the VPI isobar model. Within this model, the matrix element contains a background term calculated from a phenomenological ..pi..N Lagrangian that is consistent with the hypotheses of current algebra and PCAC. The reaction was found to be dominated by the initial P11 wave. Production of the ..delta.. isobar from initial D waves was found to be significant at the two highest energies.

  9. Philicities, Fugalities, and Equilibrium Constants.

    PubMed

    Mayr, Herbert; Ofial, Armin R

    2016-05-17

    The mechanistic model of Organic Chemistry is based on relationships between rate and equilibrium constants. Thus, strong bases are generally considered to be good nucleophiles and poor nucleofuges. Exceptions to this rule have long been known, and the ability of iodide ions to catalyze nucleophilic substitutions, because they are good nucleophiles as well as good nucleofuges, is just a prominent example for exceptions from the general rule. In a reaction series, the Leffler-Hammond parameter α = δΔG(⧧)/δΔG° describes the fraction of the change in the Gibbs energy of reaction, which is reflected in the change of the Gibbs energy of activation. It has long been considered as a measure for the position of the transition state; thus, an α value close to 0 was associated with an early transition state, while an α value close to 1 was considered to be indicative of a late transition state. Bordwell's observation in 1969 that substituent variation in phenylnitromethanes has a larger effect on the rates of deprotonation than on the corresponding equilibrium constants (nitroalkane anomaly) triggered the breakdown of this interpretation. In the past, most systematic investigations of the relationships between rates and equilibria of organic reactions have dealt with proton transfer reactions, because only for few other reaction series complementary kinetic and thermodynamic data have been available. In this Account we report on a more general investigation of the relationships between Lewis basicities, nucleophilicities, and nucleofugalities as well as between Lewis acidities, electrophilicities, and electrofugalities. Definitions of these terms are summarized, and it is suggested to replace the hybrid terms "kinetic basicity" and "kinetic acidity" by "protophilicity" and "protofugality", respectively; in this way, the terms "acidity" and "basicity" are exclusively assigned to thermodynamic properties, while "philicity" and "fugality" refer to kinetics. Benzhydrylium ions (diarylcarbenium ions) with para- and meta-substituents are used as reference compounds for these investigations, because their Lewis acidities and electrophilicities can be varied by many orders of magnitude, while the steric surroundings of the reaction centers are kept constant. The rate constants for their reactions with nucleophiles correlate linearly over a wide range with the Lewis acidities of the benzhydrylium ions: from slow reactions with late transition states to very fast reactions with early, reactant-like transition states (including reactions which proceed without an enthalpic barrier, ΔH(⧧) = 0). Thus, unequivocal evidence is obtained that even within a series of closely related reactions, the Leffler-Hammond α cannot be a measure for the position of the transition state. Differences in intrinsic barriers lead to deviations from the linear rate-equilibrium correlations and give rise to counterintuitive phenomena. Thus, 1,4-diazabicyclo[2.2.2]octane (DABCO) reacts with lower intrinsic barriers than 4-(dimethylamino)pyridine (DMAP) and, therefore, is a stronger nucleophile as well as a better nucleofuge than DMAP. Common synthetically used SN2 reactions are presented, in which weak nucleophiles replace stronger ones. Whereas solvolysis rates of alkoxy- and alkyl-substituted benzhydryl derivatives correlate linearly with the Lewis acidities of the resulting carbenium ions, this is not the case for amino-substituted benzhydrylium ions, where differences in intrinsic barriers play a major role. The common rule that a structural variation, which increases the electrophilicity of a carbocation at the same time reduces its electrofugality, does not hold any longer. The need to systematically analyze the role of intrinsic barriers is emphasized. PMID:27108991

  10. EASI - EQUILIBRIUM AIR SHOCK INTERFERENCE

    NASA Technical Reports Server (NTRS)

    Glass, C. E.

    1994-01-01

    New research on hypersonic vehicles, such as the National Aero-Space Plane (NASP), has raised concerns about the effects of shock-wave interference on various structural components of the craft. State-of-the-art aerothermal analysis software is inadequate to predict local flow and heat flux in areas of extremely high heat transfer, such as the surface impingement of an Edney-type supersonic jet. EASI revives and updates older computational methods for calculating inviscid flow field and maximum heating from shock wave interference. The program expands these methods to solve problems involving the six shock-wave interference patterns on a two-dimensional cylindrical leading edge with an equilibrium chemically reacting gas mixture (representing, for example, the scramjet cowl of the NASP). The inclusion of gas chemistry allows for a more accurate prediction of the maximum pressure and heating loads by accounting for the effects of high temperature on the air mixture. Caloric imperfections and specie dissociation of high-temperature air cause shock-wave angles, flow deflection angles, and thermodynamic properties to differ from those calculated by a calorically perfect gas model. EASI contains pressure- and temperature-dependent thermodynamic and transport properties to determine heating rates, and uses either a calorically perfect air model or an 11-specie, 7-reaction reacting air model at equilibrium with temperatures up to 15,000 K for the inviscid flowfield calculations. EASI solves the flow field and the associated maximum surface pressure and heat flux for the six common types of shock wave interference. Depending on the type of interference, the program solves for shock-wave/boundary-layer interaction, expansion-fan/boundary-layer interaction, attaching shear layer or supersonic jet impingement. Heat flux predictions require a knowledge (from experimental data or relevant calculations) of a pertinent length scale of the interaction. Output files contain flow-field information for the various shock-wave interference patterns and their associated maximum surface pressure and heat flux predictions. EASI is written in FORTRAN 77 for a DEC VAX 8500 series computer using the VAX/VMS operating system, and requires 75K of memory. The program is available on a 9-track 1600 BPI magnetic tape in DEC VAX BACKUP format. EASI was developed in 1989. DEC, VAX, and VMS are registered trademarks of the Digital Equipment Corporation.

  11. Equilibrium coexistence of three amphiboles

    USGS Publications Warehouse

    Robinson, P.; Jaffe, H.W.; Klein, C., Jr.; Ross, M.

    1969-01-01

    Electron probe and wet chemical analyses of amphibole pairs from the sillimanite zone of central Massachusetts and adjacent New Hampshire indicated that for a particular metamorphic grade there should be a restricted composition range in which three amphiboles can coexist stably. An unequivocal example of such an equilibrium three amphibole rock has been found in the sillimanite-orthoclase zone. It contains a colorless primitive clinoamphibole, space group P21/m, optically and chemically like cummingtonite with blue-green hornblende exsolution lamellae on (100) and (-101) of the host; blue-green hornblende, space group C2/m, with primitive cummingtonite exsolution lamellae on (100) and (-101) of the host; and pale pinkish tan anthophyllite, space group Pnma, that is free of visible exsolution lamellae but is a submicroscopic intergrowth of two orthorhombic amphiboles. Mutual contacts and coarse, oriented intergrowths of two and three host amphiboles indicate the three grew as an equilibrium assemblage prior to exsolution. Electron probe analyses at mutual three-amphibole contacts showed little variation in the composition of each amphibole. Analyses believed to represent most closely the primary amphibole compositions gave atomic proportions on the basis of 23 oxygens per formula unit as follows: for primitive cummingtonite (Na0.02Ca0.21- Mn0.06Fe2+2.28Mg4.12Al0.28) (Al0.17Si7.83), for hornblende (Na0.35Ca1.56Mn0.02Fe1.71Mg2.85Al0.92) (Al1.37Si6.63), and for anthophyllite (Na0.10Ca0.06Mn0.06Fe2.25Mg4.11Al0.47) (Al0.47Si7.53). The reflections violating C-symmetry, on X-ray single crystal photographs of the primitive cummingtonite, are weak and diffuse, and suggest a partial inversion from a C-centered to a primitive clinoamphibole. Single crystal photographs of the anthophyllite show split reflections indicating it is an intergrowth of about 80% anthophyllite and about 20% gedrite which differ in their b crystallographic dimensions. Split reflections are characteristic of all analyzed orthorhombic amphiboles so far examined from Massachusetts and New Hampshire except the most aluminous gedrites, and the relative intensity of the gedrite reflections is roughly proportional to the degree of Na and Al substitution. Thin sections of a few of these anthophyllite specimens show lamellae parallel to (010) that are just resolved with a high power objective. ?? 1969 Springer-Verlag.

  12. Equilibrium sampling by reweighting nonequilibrium simulation trajectories

    NASA Astrophysics Data System (ADS)

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

  13. 1-D EQUILIBRIUM DISCRETE DIFFUSION MONTE CARLO

    SciTech Connect

    T. EVANS; ET AL

    2000-08-01

    We present a new hybrid Monte Carlo method for 1-D equilibrium diffusion problems in which the radiation field coexists with matter in local thermodynamic equilibrium. This method, the Equilibrium Discrete Diffusion Monte Carlo (EqDDMC) method, combines Monte Carlo particles with spatially discrete diffusion solutions. We verify the EqDDMC method with computational results from three slab problems. The EqDDMC method represents an incremental step toward applying this hybrid methodology to non-equilibrium diffusion, where it could be simultaneously coupled to Monte Carlo transport.

  14. Determining Equilibrium Position For Acoustical Levitation

    NASA Technical Reports Server (NTRS)

    Barmatz, M. B.; Aveni, G.; Putterman, S.; Rudnick, J.

    1989-01-01

    Equilibrium position and orientation of acoustically-levitated weightless object determined by calibration technique on Earth. From calibration data, possible to calculate equilibrium position and orientation in presence of Earth gravitation. Sample not levitated acoustically during calibration. Technique relies on Boltzmann-Ehrenfest adiabatic-invariance principle. One converts resonant-frequency-shift data into data on normalized acoustical potential energy. Minimum of energy occurs at equilibrium point. From gradients of acoustical potential energy, one calculates acoustical restoring force or torque on objects as function of deviation from equilibrium position or orientation.

  15. Equilibrium Theory for Adiabatic Desorption of Bulk Binary Gas Mixtures by Purge

    SciTech Connect

    Sircar, S.; Kumar, R.

    1985-04-01

    A local equilibrium theory for adiabatic desorption of bulk binary gas mixtures by isobaric purge is developed. The model is used for evaluating the effect of adsorption selectivity, the strength of sorption, and the purge gas composition on the desorption process. Examples of the desorption of CO/sub 2/ from mixtures with CH/sub 4/, N/sub 2/, and H/sub 2/ are considered. Analytical equations to describe isothermal desorption of binary Langmuir adsorbates are derived. Desorption profiles obtained from isothermal and adiabatic models are compared. It is demonstrated that (a) desorption of a more strongly adsorbed species (component 1) by purging with a less strongly species (component 2) is more efficient when component 1 is less selectively adsorbed; (b) an adsorbent which exhibits higher adsorption capacity and selectivity for component 1 also requires more purge gas to clean the column and thus the adsorbent may not be preferred for separation by PSA process; (c) composition of the purge gas is important only to determine the level of residual component 1 at the end of the purge step; and (d) assumption of column isothermality during the purge process can severely underestimate the quantity of the purge gas requirement of an adiabatic column.

  16. Ringed Accretion Disks: Equilibrium Configurations

    NASA Astrophysics Data System (ADS)

    Pugliese, D.; Stuchlík, Z.

    2015-12-01

    We investigate a model of a ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the general relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can then be determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We present also a perturbation analysis based on evolution of the oscillating components of the ringed disk. The dynamics of the unstable phases of the ringed disk evolution seems to be promising in relation to high-energy phenomena demonstrated in active galactic nuclei.

  17. Cluster size distributions in equilibrium

    NASA Astrophysics Data System (ADS)

    Hendriks, E. M.

    1984-12-01

    Equilibrium size distributions for finite system containing M monomers in a volume V undergoing coagulation (polymerization)/fragmentation, are determined for coagulation rate K ij and fragmentation rate F ij , corresponding to the process A i + A j ⇄ A i+j (here A k denotes a cluster containing k monomeric units). It is shown that microscopic detailed balance implies F ij / K ij = λa i a j / a i+j , where λ and a k are arbitrary. The mean and most probable size distribution c k = λρ -1 a k e -μk coincide in the thermodynamic limit M, V→∞, ρ= M/V fixed. Ifa_k ˜ e^{μ _c k} k^{ - δ } (k to infty ), 2<δ<3, then the theory predicts a (solgel) phase transition at a well defined value of q = λ ρ -1, with critical exponents γ = δ and σ = δ-2. The gel fraction exponent β assumes its classical value unity, probably due to the neglect of spatial fluctuations. Finally it is indicated how the theory can in principle be extended to account for isomerism and cyclization.

  18. Hubbard nanoclusters far from equilibrium

    NASA Astrophysics Data System (ADS)

    Hermanns, Sebastian; Schlünzen, Niclas; Bonitz, Michael

    2014-09-01

    The Hubbard model is a prototype for strongly correlated many-particle systems, including electrons in condensed matter and molecules, as well as for fermions or bosons in optical lattices. While the equilibrium properties of these systems have been studied in detail, the nonequilibrium dynamics following a strong nonperturbative excitation only recently came into the focus of experiments and theory. It is of particular interest how the dynamics depend on the coupling strength and on the particle number and whether there exist universal features in the time evolution. Here, we present results for the dynamics of finite Hubbard clusters based on a self-consistent nonequilibrium Green functions (NEGF) approach invoking the generalized Kadanoff-Baym ansatz (GKBA). We discuss the conserving properties of the GKBA with Hartree-Fock propagators in detail and present a generalized form of the energy conservation criterion of Baym and Kadanoff for NEGF. Furthermore, we demonstrate that the HF-GKBA cures some artifacts of prior two-time NEGF simulations. Besides, this approach substantially speeds up the numerical calculations and thus presents the capability to study comparatively large systems and to extend the analysis to long times allowing for an accurate computation of the excitation spectrum via time propagation. Our data obtained within the second Born approximation compare favorably with exact diagonalization results (available for up to 13 particles) and are expected to have predictive capability for substantially larger systems in the weak-coupling limit.

  19. Two-Step Vapor/Liquid/Solid Purification

    NASA Technical Reports Server (NTRS)

    Holland, L. R.

    1986-01-01

    Vertical distillation system combines in single operation advantages of multiple zone refining with those of distillation. Developed specifically to load Bridgman-Stockbarger (vertical-solidification) growth ampoules with ultrapure tellurium and cadmium, system, with suitable modifications, serves as material refiner. In first phase of purification process, ampoule heated to drive off absorbed volatiles. Second phase, evaporator heated to drive off volatiles in charge. Third phase, slowly descending heater causes distillation from evaporator to growing crystal in ampoule.

  20. Catalytic hydrogenation process and apparatus with improved vapor liquid separation

    DOEpatents

    Chervenak, Michael C.; Comolli, Alfred G.

    1980-01-01

    A continuous hydrogenation process and apparatus wherein liquids are contacted with hydrogen in an ebullated catalyst reaction zone with the liquids and gas flowing vertically upwardly through that zone into a second zone substantially free of catalyst particles and wherein the liquid and gases are directed against an upwardly inclining surface through which vertical conduits are placed having inlet ends at different levels in the liquid and having outlet ends at different levels above the inclined surface, such that vapor-rich liquid is collected and discharged through conduits terminating at a higher level above the inclined surface than the vapor-poor liquid which is collected and discharged at a level lower than the inclined surface.

  1. Effect of dimensionality on vapor-liquid phase transition

    SciTech Connect

    Singh, Sudhir Kumar

    2014-04-24

    Dimensionality play significant role on ‘phase transitions’. Fluids in macroscopic confinement (bulk or 3-Dimensional, 3D) do not show significant changes in their phase transition properties with extent of confinement, since the number of molecules away from the surrounding surfaces is astronomically higher than the number of molecules in close proximity of the confining surfaces. In microscopic confinement (quasi 3D to quasi-2D), however, the number of molecules away from the close proximity of the surface is not as high as is the case with macroscopic (3D) confinement. Hence, under the same thermodynamic conditions ‘phase transition’ properties at microscopic confinement may not remain the same as the macroscopic or 3D values. Phase transitions at extremely small scale become very sensitive to the dimensions as well as the surface characteristics of the system. In this work our investigations reveal the effect of dimensionality on the phase transition from 3D to quasi-2D to 2D behavior. We have used grand canonical transition matrix Monte Carlo simulation to understand the vapor–liquid phase transitions from 3D to quasi-2D behavior. Such studies can be helpful in understanding and controlling the fluid film behaviour confined between solid surfaces of few molecular diameters, for example, in lubrication applications.

  2. Equilibrium figures in geodesy and geophysics.

    NASA Astrophysics Data System (ADS)

    Moritz, H.

    There is an enormous literature on geodetic equilibrium figures, but the various works have not always been interrelated, also for linguistic reasons (English, French, German, Italian, Russian). The author attempts to systematize the various approaches and to use the standard second-order theory for a study of the deviation of the actual earth and of the equipotential reference ellipsoid from an equilibrium figure.

  3. Zeroth Law, Entropy, Equilibrium, and All That

    ERIC Educational Resources Information Center

    Canagaratna, Sebastian G.

    2008-01-01

    The place of the zeroth law in the teaching of thermodynamics is examined in the context of the recent discussion by Gislason and Craig of some problems involving the establishment of thermal equilibrium. The concept of thermal equilibrium is introduced through the zeroth law. The relation between the zeroth law and the second law in the…

  4. The Equilibrium of Life-Career Planning

    NASA Astrophysics Data System (ADS)

    Byars-Winston, Angela

    Over a 100 years ago, fixed wing aircraft flight was made possible by Orville and Wilbur Wright's breakthrough invention of a three-axis control that allowed effective steering and maintenance of airplanes' equilibrium. The significance of the Wright brothers' control invention is that it facilitated recovery of lateral balance, or equilibrium, when the wind tilts the aircraft to one side or another.

  5. A Holistic Equilibrium Theory of Organization Development

    ERIC Educational Resources Information Center

    Yang, Baiyin; Zheng, Wei

    2005-01-01

    This paper proposes a holistic equilibrium theory of organizational development (OD). The theory states that there are three driving forces in organizational change and development--rationality, reality, and liberty. OD can be viewed as a planned process of change in an organization so as to establish equilibrium among these three interacting…

  6. Equilibrium Tail Distribution Due to Touschek Scattering

    SciTech Connect

    Nash,B.; Krinsky, S.

    2009-05-04

    Single large angle Coulomb scattering is referred to as Touschek scattering. In addition to causing particle loss when the scattered particles are outside the momentum aperture, the process also results in a non-Gaussian tail, which is an equilibrium between the Touschek scattering and radiation damping. Here we present an analytical calculation for this equilibrium distribution.

  7. A high-performance multiple-reflection time-of-flight mass spectrometer and isobar separator for the research with exotic nuclei

    NASA Astrophysics Data System (ADS)

    Dickel, T.; Plaß, W. R.; Becker, A.; Czok, U.; Geissel, H.; Haettner, E.; Jesch, C.; Kinsel, W.; Petrick, M.; Scheidenberger, C.; Simon, A.; Yavor, M. I.

    2015-03-01

    A novel multiple-reflection time-of-flight mass spectrometer (MR-TOF-MS) and isobar separator for the research with exotic nuclides at low-energy rare isotope beam facilities has been developed, commissioned and characterized. It can be used (i) as broadband mass spectrometer with medium resolution, (ii) as highly accurate mass spectrometer for direct mass measurements and (iii) as high-resolution mass separator. The device features a worldwide unique combination of performance characteristics: a mass resolving power of 600,000 (FWHM), a mass measurement accuracy of ~10-7, large ion capacities in excess of 106 ions per second, a transmission efficiency of up to 70%, single-ion sensitivity, and cycle frequencies of up to 400 Hz have been achieved. The spatial separation of close-lying isobars with an intensity ratio of 200:1 and a binding energy difference as small as 4 MeV has been demonstrated. The MR-TOF-MS is ideally suited for experiments with rare and very short-lived nuclei at present and future in-flight, ISOL or IGISOL facilities, such as the FRS Ion-Catcher and SHIP/SHIPTRAP at GSI, TITAN at TRIUMF, IGISOL at the University of Jyväskylä and the Low-Energy Branch of the Super-FRS at FAIR.

  8. Custom 4-Plex DiLeu Isobaric Labels Enable Relative Quantification of Urinary Proteins in Men with Lower Urinary Tract Symptoms (LUTS)

    PubMed Central

    Greer, Tyler; Hao, Ling; Nechyporenko, Anatoliy; Lee, Sanghee; Vezina, Chad M.; Ricke, Will A.; Marker, Paul C.; Bjorling, Dale E.; Bushman, Wade; Li, Lingjun

    2015-01-01

    The relative quantification of proteins using liquid chromatography mass spectrometry (LC-MS) has allowed researchers to compile lists of potential disease markers. These complex quantitative workflows often include isobaric labeling of enzymatically-produced peptides to analyze their relative abundances across multiple samples in a single LC-MS run. Recent efforts by our lab have provided scientists with cost-effective alternatives to expensive commercial labels. Although the quantitative performance of these dimethyl leucine (DiLeu) labels has been reported using known ratios of complex protein and peptide standards, their potential in large-scale proteomics studies using a clinically relevant system has never been investigated. Our work rectifies this oversight by implementing 4-plex DiLeu to quantify proteins in the urine of aging human males who suffer from lower urinary tract symptoms (LUTS). Protein abundances in 25 LUTS and 15 control patients were compared, revealing that of the 836 proteins quantified, 50 were found to be differentially expressed (>20% change) and statistically significant (p-value <0.05). Gene ontology (GO) analysis of the differentiated proteins showed that many were involved in inflammatory responses and implicated in fibrosis. While confirmation of individual protein abundance changes would be required to verify protein expression, this study represents the first report using the custom isobaric label, 4-plex DiLeu, to quantify protein abundances in a clinically relevant system. PMID:26267142

  9. Excitation of the Δ(1232) isobar in deuteron charge exchange on hydrogen at 1.6, 1.8, and 2.3 GeV

    NASA Astrophysics Data System (ADS)

    Mchedlishvili, D.; Barsov, S.; Carbonell, J.; Chiladze, D.; Dymov, S.; Dzyuba, A.; Engels, R.; Gebel, R.; Glagolev, V.; Grigoryev, K.; Goslawski, P.; Hartmann, M.; Imambekov, O.; Kacharava, A.; Kamerdzhiev, V.; Keshelashvili, I.; Khoukaz, A.; Komarov, V.; Kulessa, P.; Kulikov, A.; Lehrach, A.; Lomidze, N.; Lorentz, B.; Macharashvili, G.; Maier, R.; Merzliakov, S.; Mielke, M.; Mikirtychyants, M.; Mikirtychyants, S.; Nioradze, M.; Ohm, H.; Papenbrock, M.; Prasuhn, D.; Rathmann, F.; Serdyuk, V.; Seyfarth, H.; Stein, H. J.; Steffens, E.; Stockhorst, H.; Ströher, H.; Tabidze, M.; Trusov, S.; Uzikov, Yu.; Valdau, Yu.; Wilkin, C.

    2013-10-01

    The charge-exchange break-up of polarised deuterons d→p→{pp}sn, where the final {pp}s diproton system has a very low excitation energy and hence is mainly in the S01 state, is a powerful tool to probe the spin-flip terms in the proton-neutron charge-exchange scattering. Recent measurements with the ANKE spectrometer at the COSY storage ring at 1.6, 1.8, and 2.27 GeV have extended these studies into the pion-production regime in order to investigate the mechanism for the excitation of the Δ(1232) isobar in the d→p→{pp}sX reaction. Values of the differential cross section and two deuteron tensor analysing powers, Axx and Ayy, have been extracted as functions of the momentum transfer to the diproton or the invariant mass MX of the unobserved system X. The unpolarised cross section in the high MX region is well described in a model that includes only direct excitation of the Δ isobar through undistorted one pion exchange. However, the cross section is grossly underestimated for low MX, even when Δ excitation in the projectile deuteron is included in the calculation. Furthermore, direct Δ production through one pion exchange only reproduces the angular dependence of the difference between the two tensor analysing powers.

  10. Implementing an Equilibrium Law Teaching Sequence for Secondary School Students to Learn Chemical Equilibrium

    ERIC Educational Resources Information Center

    Ghirardi, Marco; Marchetti, Fabio; Pettinari, Claudio; Regis, Alberto; Roletto, Ezio

    2015-01-01

    A didactic sequence is proposed for the teaching of chemical equilibrium law. In this approach, we have avoided the kinetic derivation and the thermodynamic justification of the equilibrium constant. The equilibrium constant expression is established empirically by a trial-and-error approach. Additionally, students learn to use the criterion of…

  11. Implementing an Equilibrium Law Teaching Sequence for Secondary School Students to Learn Chemical Equilibrium

    ERIC Educational Resources Information Center

    Ghirardi, Marco; Marchetti, Fabio; Pettinari, Claudio; Regis, Alberto; Roletto, Ezio

    2015-01-01

    A didactic sequence is proposed for the teaching of chemical equilibrium law. In this approach, we have avoided the kinetic derivation and the thermodynamic justification of the equilibrium constant. The equilibrium constant expression is established empirically by a trial-and-error approach. Additionally, students learn to use the criterion of

  12. Thermodynamics of nonlinear bolometers near equilibrium

    NASA Astrophysics Data System (ADS)

    Irwin, K. D.

    2006-04-01

    We present the first thermodynamically correct calculation of the noise in a simple nonlinear resistive bolometer or calorimeter operated out of equilibrium. The solution is rigorous only for first- and second-order deviations from equilibrium, and for the linear and quadratic terms of dissipative elements. In contrast, existing models of noise in resistive bolometers are based on the application of equilibrium theories to a system that is often nonlinear and out of equilibrium. We derive solutions applicable both in and out of steady state. The noise has power spectral density different from the equilibrium theory, and it has higher-order correlations and non-Gaussian characteristics. The results do not apply to non-Markovian hidden variables in the bolometer.

  13. Probing local equilibrium in nonequilibrium fluids.

    PubMed

    del Pozo, J J; Garrido, P L; Hurtado, P I

    2015-08-01

    We use extensive computer simulations to probe local thermodynamic equilibrium (LTE) in a quintessential model fluid, the two-dimensional hard-disks system. We show that macroscopic LTE is a property much stronger than previously anticipated, even in the presence of important finite-size effects, revealing a remarkable bulk-boundary decoupling phenomenon in fluids out of equilibrium. This allows us to measure the fluid's equation of state in simulations far from equilibrium, with an excellent accuracy comparable to the best equilibrium simulations. Subtle corrections to LTE are found in the fluctuations of the total energy which strongly point to the nonlocality of the nonequilibrium potential governing the fluid's macroscopic behavior out of equilibrium. PMID:26382354

  14. Disturbances in equilibrium function after major earthquake

    PubMed Central

    Honma, Motoyasu; Endo, Nobutaka; Osada, Yoshihisa; Kim, Yoshiharu; Kuriyama, Kenichi

    2012-01-01

    Major earthquakes were followed by a large number of aftershocks and significant outbreaks of dizziness occurred over a large area. However it is unclear why major earthquake causes dizziness. We conducted an intergroup trial on equilibrium dysfunction and psychological states associated with equilibrium dysfunction in individuals exposed to repetitive aftershocks versus those who were rarely exposed. Greater equilibrium dysfunction was observed in the aftershock-exposed group under conditions without visual compensation. Equilibrium dysfunction in the aftershock-exposed group appears to have arisen from disturbance of the inner ear, as well as individual vulnerability to state anxiety enhanced by repetitive exposure to aftershocks. We indicate potential effects of autonomic stress on equilibrium function after major earthquake. Our findings may contribute to risk management of psychological and physical health after major earthquakes with aftershocks, and allow development of a new empirical approach to disaster care after such events. PMID:23087814

  15. Disturbances in equilibrium function after major earthquake

    NASA Astrophysics Data System (ADS)

    Honma, Motoyasu; Endo, Nobutaka; Osada, Yoshihisa; Kim, Yoshiharu; Kuriyama, Kenichi

    2012-10-01

    Major earthquakes were followed by a large number of aftershocks and significant outbreaks of dizziness occurred over a large area. However it is unclear why major earthquake causes dizziness. We conducted an intergroup trial on equilibrium dysfunction and psychological states associated with equilibrium dysfunction in individuals exposed to repetitive aftershocks versus those who were rarely exposed. Greater equilibrium dysfunction was observed in the aftershock-exposed group under conditions without visual compensation. Equilibrium dysfunction in the aftershock-exposed group appears to have arisen from disturbance of the inner ear, as well as individual vulnerability to state anxiety enhanced by repetitive exposure to aftershocks. We indicate potential effects of autonomic stress on equilibrium function after major earthquake. Our findings may contribute to risk management of psychological and physical health after major earthquakes with aftershocks, and allow development of a new empirical approach to disaster care after such events.

  16. The Sulfur-Iodine Cycle: Process Analysis and Design Using Comprehensive Phase Equilibrium Measurements and Modeling

    SciTech Connect

    Thies, Mark C.; O'Connell, J. P.; Gorensek, Maximilian B.

    2010-01-10

    Of the 100+ thermochemical hydrogen cycles that have been proposed, the Sulfur-Iodine (S-I) Cycle is a primary target of international interest for the centralized production of hydrogen from nuclear power. However, the cycle involves complex and highly nonideal phase behavior at extreme conditions that is only beginning to be understood and modeled for process simulation. The consequence is that current designs and efficiency projections have large uncertainties, as they are based on incomplete data that must be extrapolated from property models. This situation prevents reliable assessment of the potential viability of the system and, even more, a basis for efficient process design. The goal of this NERI award (05-006) was to generate phase-equilibrium data, property models, and comprehensive process simulations so that an accurate evaluation of the S-I Cycle could be made. Our focus was on Section III of the Cycle, where the hydrogen is produced by decomposition of hydroiodic acid (HI) in the presence of water and iodine (I2) in a reactive distillation (RD) column. The results of this project were to be transferred to the nuclear hydrogen community in the form of reliable flowsheet models for the S-I process. Many of the project objectives were achieved. At Clemson University, a unique, tantalum-based, phase-equilibrium apparatus incorporating a view cell was designed and constructed for measuring fluid-phase equilibria for mixtures of iodine, HI, and water (known as HIx) at temperatures to 350 °C and pressures to 100 bar. Such measurements were of particular interest for developing a working understanding of the expected operation of the RD column in Section III. The view cell allowed for the IR observation and discernment of vapor-liquid (VL), liquid-liquid, and liquid-liquid-vapor (LLVE) equilibria for HIx systems. For the I2-H2O system, liquid-liquid equilibrium (LLE) was discovered to exist at temperatures up to 310-315 °C, in contrast to the models and predictions of earlier workers. For the I2-HI-H2O ternary, LLE and LLVE were all observed for the first time at temperatures of 160 and 200 °C. Three LLE tie-lines were measured at 160 °C, and preliminary indications are that the underlying phase behavior could result in further improvements in the performance of the S-I Cycle. Unfortunately, these new results were obtained too late in the project to be incorporated into the modeling and simulation work described below. At the University of Virginia, a uniquely complete and reliable model was developed for the thermodynamic properties of HIx, covering the range of conditions expected for the separation of product hydrogen and recycled iodine in the RD column located in Section III. The model was validated with all available property spectroscopy data. The results provide major advances over prior understanding of the chemical speciation involved. The model was implemented in process simulation studies of the S-I Cycle, which showed improvement in energy efficiency to 42%, as well as significantly smaller capital requirements due to lower pressure operation and much smaller equipment sizes. The result is that the S-I Cycle may be much more economically feasible than was previously thought. If both the experimental and modeling work described above were to be continued to ultimate process optimization, both the American public and the global community would benefit from this alternative energy source that does not produce carbon emissions.

  17. A Stochastic Algorithm for the Isobaric-Isothermal Ensemble with Ewald Summations for All Long Range Forces.

    PubMed

    Di Pierro, Michele; Elber, Ron; Leimkuhler, Benedict

    2015-12-01

    We present an algorithm termed COMPEL (COnstant Molecular Pressure with Ewald sum for Long range forces) to conduct simulations in the NPT ensemble. The algorithm combines novel features recently proposed in the literature to obtain a highly efficient and accurate numerical integrator. COMPEL exploits the concepts of molecular pressure, rapid stochastic relaxation to equilibrium, exact calculation of the contribution to the pressure of long-range nonbonded forces with Ewald summation, and the use of Trotter expansion to generate a robust, highly stable, symmetric, and accurate algorithm. Explicit implementation in the MOIL program and illustrative numerical examples are discussed. PMID:26616351

  18. Local Nash Equilibrium in Social Networks

    PubMed Central

    Zhang, Yichao; Aziz-Alaoui, M. A.; Bertelle, Cyrille; Guan, Jihong

    2014-01-01

    Nash equilibrium is widely present in various social disputes. As of now, in structured static populations, such as social networks, regular, and random graphs, the discussions on Nash equilibrium are quite limited. In a relatively stable static gaming network, a rational individual has to comprehensively consider all his/her opponents' strategies before they adopt a unified strategy. In this scenario, a new strategy equilibrium emerges in the system. We define this equilibrium as a local Nash equilibrium. In this paper, we present an explicit definition of the local Nash equilibrium for the two-strategy games in structured populations. Based on the definition, we investigate the condition that a system reaches the evolutionary stable state when the individuals play the Prisoner's dilemma and snow-drift game. The local Nash equilibrium provides a way to judge whether a gaming structured population reaches the evolutionary stable state on one hand. On the other hand, it can be used to predict whether cooperators can survive in a system long before the system reaches its evolutionary stable state for the Prisoner's dilemma game. Our work therefore provides a theoretical framework for understanding the evolutionary stable state in the gaming populations with static structures. PMID:25169150

  19. Teaching Chemical Equilibrium with the Jigsaw Technique

    NASA Astrophysics Data System (ADS)

    Doymus, Kemal

    2008-03-01

    This study investigates the effect of cooperative learning (jigsaw) versus individual learning methods on students’ understanding of chemical equilibrium in a first-year general chemistry course. This study was carried out in two different classes in the department of primary science education during the 2005-2006 academic year. One of the classes was randomly assigned as the non-jigsaw group (control) and other as the jigsaw group (cooperative). Students participating in the jigsaw group were divided into four “home groups” since the topic chemical equilibrium is divided into four subtopics (Modules A, B, C and D). Each of these home groups contained four students. The groups were as follows: (1) Home Group A (HGA), representin g the equilibrium state and quantitative aspects of equilibrium (Module A), (2) Home Group B (HGB), representing the equilibrium constant and relationships involving equilibrium constants (Module B), (3) Home Group C (HGC), representing Altering Equilibrium Conditions: Le Chatelier’s principle (Module C), and (4) Home Group D (HGD), representing calculations with equilibrium constants (Module D). The home groups then broke apart, like pieces of a jigsaw puzzle, and the students moved into jigsaw groups consisting of members from the other home groups who were assigned the same portion of the material. The jigsaw groups were then in charge of teaching their specific subtopic to the rest of the students in their learning group. The main data collection tool was a Chemical Equilibrium Achievement Test (CEAT), which was applied to both the jigsaw and non-jigsaw groups The results indicated that the jigsaw group was more successful than the non-jigsaw group (individual learning method).

  20. Non-equilibrium Transport of Light

    NASA Astrophysics Data System (ADS)

    Wang, Chiao-Hsuan; Taylor, Jacob

    Non-equilibrium Transport of Light The thermalization of light under conditions of parametric coupling to a bath provides a robust chemical potential for light. We study non-equilibrium transport of light using non-equilibrium Green's function approach under the parametric coupling scheme, and explore a potential photonic analogue to the Landauer transport equation. Our results provide understandings of many-body states of photonic matter with chemical potential imbalances. The transport theory of light paves the way for quantum simulation and even practical applications of diode-like circuits using quantum photonic sources in the microwave and optical domain.

  1. The Conceptual Change Approach to Teaching Chemical Equilibrium

    ERIC Educational Resources Information Center

    Canpolat, Nurtac; Pinarbasi, Tacettin; Bayrakceken, Samih; Geban, Omer

    2006-01-01

    This study investigates the effect of a conceptual change approach over traditional instruction on students' understanding of chemical equilibrium concepts (e.g. dynamic nature of equilibrium, definition of equilibrium constant, heterogeneous equilibrium, qualitative interpreting of equilibrium constant, changing the reaction conditions). This

  2. The Conceptual Change Approach to Teaching Chemical Equilibrium

    ERIC Educational Resources Information Center

    Canpolat, Nurtac; Pinarbasi, Tacettin; Bayrakceken, Samih; Geban, Omer

    2006-01-01

    This study investigates the effect of a conceptual change approach over traditional instruction on students' understanding of chemical equilibrium concepts (e.g. dynamic nature of equilibrium, definition of equilibrium constant, heterogeneous equilibrium, qualitative interpreting of equilibrium constant, changing the reaction conditions). This…

  3. Stochastic approach to equilibrium and nonequilibrium thermodynamics.

    PubMed

    Tomé, Tânia; de Oliveira, Mário J

    2015-04-01

    We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions. PMID:25974471

  4. Biologically inspired non-equilibrium error correction

    NASA Astrophysics Data System (ADS)

    Murugan, Arvind; Huse, David; Leibler, Stanislas

    2014-03-01

    The error rate in synthetic methods of materials science is often assumed to be determined by the laws of equilibrium thermodynamics. Biology achieves much lower error rates by consuming energy and operating out of equilibrium using the mechanism of kinetic proofreading. We generalize the principles behind proofreading to general non-equilibrium synthesis methods. We find that error correction can generally be viewed as ``dynamic instability'' along the reaction coordinate. We interpret error correction in terms of occupancy of states and show how non-equilibrium systems can be designed to exhibit any desired occupancy of states. Intriguingly, we find we can design ``anti-proofreading'' regimes where higher energy states have higher occupancy. Finally, we show that error correcting properties can be altered dynamically in response to the environment by changing the externally supplied chemical potential. In addition to biological insights, our results can lead to novel and improved synthetic methods of self-assembly.

  5. Stochastic approach to equilibrium and nonequilibrium thermodynamics

    NASA Astrophysics Data System (ADS)

    Tomé, Tânia; de Oliveira, Mário J.

    2015-04-01

    We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions.

  6. An Elementary Discussion of Chemical Equilibrium.

    ERIC Educational Resources Information Center

    David, Carl W.

    1988-01-01

    This discussion uses a more difficult reaction as the prototype to derive the standard equation for chemical equilibrium. It can be used by students who can understand and use partial derivatives. (CW)

  7. Spreadsheet Templates for Chemical Equilibrium Calculations.

    ERIC Educational Resources Information Center

    Joshi, Bhairav D.

    1993-01-01

    Describes two general spreadsheet templates to carry out all types of one-equation chemical equilibrium calculations encountered by students in undergraduate chemistry courses. Algorithms, templates, macros, and representative examples are presented to illustrate the approach. (PR)

  8. Points of Equilibrium in Electrostatic Fields.

    ERIC Educational Resources Information Center

    Rogers, Peter J.

    1979-01-01

    Discusses the electric field line pattern for four equal charges of the same sign placed at the corners of a square. The electric field intensity and the point of equilibrium are interpreted, taking into account three dimensions. (HM)

  9. Thermodynamics “beyond” local equilibrium

    PubMed Central

    Vilar, J. M. G.; Rubí, J. M.

    2001-01-01

    Nonequilibrium thermodynamics has shown its applicability in a wide variety of different situations pertaining to fields such as physics, chemistry, biology, and engineering. As successful as it is, however, its current formulation considers only systems close to equilibrium, those satisfying the so-called local equilibrium hypothesis. Here we show that diffusion processes that occur far away from equilibrium can be viewed as at local equilibrium in a space that includes all the relevant variables in addition to the spatial coordinate. In this way, nonequilibrium thermodynamics can be used and the difficulties and ambiguities associated with the lack of a thermodynamic description disappear. We analyze explicitly the inertial effects in diffusion and outline how the main ideas can be applied to other situations. PMID:11562457

  10. IEHI: Ionization Equilibrium for Heavy Ions

    NASA Astrophysics Data System (ADS)

    Cranmer, Steven R.

    2015-07-01

    IEHI, written in Fortran, outputs a simple "coronal" ionization equilibrium (i.e., collisional ionization and auto-ionization balanced by radiative and dielectronic recombination) for a plasma at a given electron temperature.

  11. Edge Equilibrium Code (EEC) For Tokamaks

    SciTech Connect

    Li, Xujling

    2014-02-24

    The edge equilibrium code (EEC) described in this paper is developed for simulations of the near edge plasma using the finite element method. It solves the Grad-Shafranov equation in toroidal coordinate and uses adaptive grids aligned with magnetic field lines. Hermite finite elements are chosen for the numerical scheme. A fast Newton scheme which is the same as implemented in the equilibrium and stability code (ESC) is applied here to adjust the grids

  12. The Theory of Variances in Equilibrium Reconstruction

    SciTech Connect

    Zakharov, Leonid E.; Lewandowski, Jerome; Foley, Elizabeth L.; Levinton, Fred M.; Yuh, Howard Y.; Drozdov, Vladimir; McDonald, Darren

    2008-01-14

    The theory of variances of equilibrium reconstruction is presented. It complements existing practices with information regarding what kind of plasma profiles can be reconstructed, how accurately, and what remains beyond the abilities of diagnostic systems. The #27;σ-curves, introduced by the present theory, give a quantitative assessment of quality of effectiveness of diagnostic systems in constraining equilibrium reconstructions. The theory also suggests a method for aligning the accuracy of measurements of different physical nature.

  13. Approaches to the Treatment of Equilibrium Perturbations

    NASA Astrophysics Data System (ADS)

    Canagaratna, Sebastian G.

    2003-10-01

    Perturbations from equilibrium are treated in the textbooks by a combination of Le Chtelier's principle, the comparison of the equilibrium constant K with the reaction quotient Q,and the kinetic approach. Each of these methods is briefly reviewed. This is followed by derivations of the variation of the equilibrium value of the extent of reaction, ?eq, with various parameters on which it depends. Near equilibrium this relationship can be represented by a straight line. The equilibrium system can be regarded as moving on this line as the parameter is varied. The slope of the line depends on quantities like enthalpy of reaction, volume of reaction and so forth. The derivation shows that these quantities pertain to the equilibrium system, not the standard state. Also, the derivation makes clear what kind of assumptions underlie our conclusions. The derivation of these relations involves knowledge of thermodynamics that is well within the grasp of junior level physical chemistry students. The conclusions that follow from the derived relations are given as subsidiary rules in the form of the slope of ?eq, with T, p, et cetera. The rules are used to develop a visual way of predicting the direction of shift of a perturbed system. This method can be used to supplement one of the other methods even at the introductory level.

  14. Nuclear structure beyond the neutron drip line: The lowest energy states in 9He via their T = 5/2 isobaric analogs in 9Li

    NASA Astrophysics Data System (ADS)

    Uberseder, E.; Rogachev, G. V.; Goldberg, V. Z.; Koshchiy, E.; Roeder, B. T.; Alcorta, M.; Chubarian, G.; Davids, B.; Fu, C.; Hooker, J.; Jayatissa, H.; Melconian, D.; Tribble, R. E.

    2016-03-01

    The level structure of the very neutron rich and unbound 9He nucleus has been the subject of significant experimental and theoretical study. Many recent works have claimed that the two lowest energy 9He states exist with spins Jπ = 1 /2+ and Jπ = 1 /2- and widths on the order of 100-200 keV. These findings cannot be reconciled with our contemporary understanding of nuclear structure. The present work is the first high-resolution study with low statistical uncertainty of the relevant excitation energy range in the 8He+n system, performed via a search for the T = 5 / 2 isobaric analog states in 9Li populated through 8He+p elastic scattering. The present data show no indication of any narrow structures. Instead, we find evidence for a broad Jπ = 1 /2+ state in 9He located approximately 3 MeV above the neutron decay threshold.

  15. Nematic-smectic- A phase boundary of ideally oriented Gay-Berne system: Local density functional versus isothermal-isobaric Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Józefowicz, W.; Cholewiak, G.; Longa, L.

    2005-03-01

    The main focus of the present paper is on studying the nematic-smectic- A phase boundary of an ideally oriented Gay-Berne system. The phase diagram is determined by means of an isothermal-isobaric Monte Carlo simulation. The results are compared with predictions of the local density functional expanded up to second and third order in the one-particle distribution function. It is shown that generally the second-order expansion does not give satisfactory predictions for smectics. Going beyond the leading order yields good quantitative agreement at moderate densities. With increasing density the relative error of the local density functional calculations increases, but usually does not exceed 10% in densities. We conclude that the density functional approach could be competitive to time-consuming simulations in determining phase diagrams of spatially and orientationally ordered liquid crystalline structures.

  16. Negative thermal expansion of ScF3: Insights from density-functional molecular dynamics in the isothermal-isobaric ensemble

    NASA Astrophysics Data System (ADS)

    Lazar, Petr; Bučko, Tomáš; Hafner, Jürgen

    2015-12-01

    Scandium trifluoride (ScF3) is a rare example of a material with a simple structure exhibiting a large negative thermal expansion over a wide range of temperatures. In the present work, the thermal behavior of this material has been studied by means of density-functional molecular dynamics in the isothermal-isobaric ensemble. Our simulations reproduce the experimentally observed trends: thermal expansion is negative at low temperatures, approaches zero at ≈1000 K, and is positive at higher temperatures. The simulations permit us to develop an atomistic scenario of the observed phenomena, which arises from the correlated dynamics of ScF6 octahedra. The relation between the cubic-to-rhombohedral transformation under a very modest compression and the thermal behavior of ScF3 is demonstrated.

  17. Positive parity states in Pb208 excited by the proton decay of the isobaric analog intruder resonance j15/2 in Bi209

    NASA Astrophysics Data System (ADS)

    Heusler, A.; Graw, G.; Hertenberger, R.; Riess, F.; Wirth, H.-F.; Faestermann, T.; Krücken, R.; Behrens, T.; Bildstein, V.; Eppinger, K.; Herlitzius, C.; Lepyoshkina, O.; Mahgoub, M.; Parikh, A.; Schwertel, S.; Wimmer, K.; Pietralla, N.; Werner, V.; Jolie, J.; Mücher, D.; Scholl, C.; von Brentano, P.

    2010-07-01

    With the Q3D magnetic spectrograph of the Maier-Leibnitz-Laboratorium at München at a resolution of about 3 keV, angular distributions and excitation functions of the reaction Pb208(p,p') were measured at some scattering angles 20°-138° for several proton energies 14.8-18.1 MeV. All seven known isobaric analog resonances in Bi209 are covered. By the excitation near the j15/2 intruder resonance in Bi209, several new positive parity states in Pb208 with excitation energies 4.6-6.2 MeV are identified by comparison of the mean cross section to the known single particle widths. The dominant configuration for 27 positive parity states is determined and compared to the schematic shell model.

  18. Formation of garnet + corundum during isobaric cooling at UHT conditions: an example from pelitic granulites of the Highland Complex, Sri Lanka

    NASA Astrophysics Data System (ADS)

    Laksthitha Dharmapriya, Prasanna; Galli, Andrea; Prabath Malaviarachchi, Sanjeeva; Su, Ben-Xun

    2014-05-01

    Coexisting garnet and corundum have been reported from different rock types such as UHP rocks, aluminous eclogites, kimberlites and numerous granulites worldwide which experienced UHT conditions of 900-1050 °C at relatively high but not eclogitic pressures of 10-12 kbar. In pelitic granulites the assemblage garnet + corundum is usually interpreted to form at peak P during prograde heating along a clock-wise metamorphic path and subsequently breaks down during decompression to form sapphirine, cordierite-sapphirine-spinel or spinel-sillimanite bearing assemblages, depending on the PT-trajectory and bulk rock composition. In any cases, coexisting garnet + corundum are rarely preserved. Even less usual is the occurrence of garnet + corundum in pyroxene-free rocks. In this study, we report the occurrence of coexisting garnet + corundum within spinel- and corundum-bearing, orthopyroxene-free garnet-sillimanite-biotite-graphite gneisses from the Highland Complex (HC), Sri Lanka. In the investigated pelitic granulites, quartz-saturated domains and quartz-deficient domains are distinguishable. Quartz-saturated domains consist of quartz, plagioclase, alkali-feldspar, garnet-porphyroblasts and biotite flakes around garnet. Quartz-deficient domains are constituted of sillimanite, plagioclase, alkali-feldspar, corundum, spinel, biotite and two generations of garnet. Grt1 is coarse- to medium-grained (0.5-3 cm in diameter) and encloses rare Ti-rich biotite and numerous rutile needles and apatite rods. Grt2 is medium- to fine-grained (0.25-1 cm in diameter), contains rare sillimanite and/or spinel inclusions and is always associated with corundum. Corundum occurs in mutual contact with Grt2, partially embedded within rim area of Grt2 or as inclusions in Grt2. Rarely, tiny spinel inclusions can be observed in corundum. The chemistry of minerals preserved as inclusion in Grt1 indicates that pelitic granulites attained maximal P of 10.5-11 kbar at T around 850°C during their prograde history. Further heating induced a series of biotite-melting reactions which progressively consumed biotite and quartz from the rock matrix and produced garnet-porphyroblasts and spinel. Textural observations coupled with both pseudosections calculated in the CNKFMASHTMnO system and Ti-in-garnet geothermobarometry suggest that peak metamorphic temperature occurred at UHT conditions of 950-975 0C and pressures of 9-9.5 kbar. Peak T was followed by a period of isobaric cooling responsible for the formation of corundum and Grt2 via the reaction Spl + Sil = Grt2 + Crn at around 930 °C, as well as exsolution of rutile needles and apatite rods from Grt1. Modelling of the mode of spinel, sillimanite, corundum and garnet confirms that along an isobaric cooling path at about 920-930 °C and 9-9.5 kbar corundum appears and spinel contemporaneously disappears. At the same PT conditions, our model predicts a decrease of sillimanite and an increase of garnet content. Further isobaric cooling produced a second generation of biotite at the rim of large Grt1-porphyroblasts at ca. 800 °C. Therefore, the investigated granulites provide a rare but meaningful example where garnet + corundum formed along a retrograde metamorphic trajectory under UHT conditions, forcing to consider isobaric cooling at the base of the crust as an alternative process to explain the formation of coexisting garnet + corundum, especially if the studied rock lacks of cordierite or orthopyroxene.

  19. Isobaric-Isothermal Molecular Dynamics Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

    SciTech Connect

    Schmidt, J; VandeVondele, J; Kuo, I W; Sebastiani, D; Siepmann, J I; Hutter, J; Mundy, C J

    2009-03-06

    We present herein a comprehensive density functional theory study toward assessing the accuracy of two popular gradient-corrected exchange correlation functionals on the structure and density of liquid water at near ambient conditions in the isobaric-isothermal ensemble. Our results indicate that both PBE and BLYP functionals under predict the density and over structure the liquid. Adding the dispersion correction due to Grimme(1, 2) improves the predicted densities for both BLYP and PBE in a significant manner. Moreover, the addition of the dispersion correction for BLYP yields an oxygen-oxygen radial distribution function in excellent agreement with experiment. Thus, we conclude that one can obtain a very satisfactory model for water using BLYP and a correction for dispersion.

  20. Sulfonium Ion Derivatization, Isobaric Stable Isotope Labeling and Data Dependent CID- and ETD-MS/MS for Enhanced Phosphopeptide Quantitation, Identification and Phosphorylation Site Characterization

    NASA Astrophysics Data System (ADS)

    Lu, Yali; Zhou, Xiao; Stemmer, Paul M.; Reid, Gavin E.

    2012-04-01

    An amine specific peptide derivatization strategy involving the use of novel isobaric stable isotope encoded `fixed charge' sulfonium ion reagents, coupled with an analysis strategy employing capillary HPLC, ESI-MS, and automated data dependent ion trap CID-MS/MS, -MS3, and/or ETD-MS/MS, has been developed for the improved quantitative analysis of protein phosphorylation, and for identification and characterization of their site(s) of modification. Derivatization of 50 synthetic phosphopeptides with S, S'-dimethylthiobutanoylhydroxysuccinimide ester iodide (DMBNHS), followed by analysis using capillary HPLC-ESI-MS, yielded an average 2.5-fold increase in ionization efficiencies and a significant increase in the presence and/or abundance of higher charge state precursor ions compared to the non-derivatized phosphopeptides. Notably, 44% of the phosphopeptides (22 of 50) in their underivatized states yielded precursor ions whose maximum charge states corresponded to +2, while only 8% (4 of 50) remained at this maximum charge state following DMBNHS derivatization. Quantitative analysis was achieved by measuring the abundances of the diagnostic product ions corresponding to the neutral losses of `light' (S(CH3)2) and `heavy' (S(CD3)2) dimethylsulfide exclusively formed upon CID-MS/MS of isobaric stable isotope labeled forms of the DMBNHS derivatized phosphopeptides. Under these conditions, the phosphate group stayed intact. Access for a greater number of peptides to provide enhanced phosphopeptide sequence identification and phosphorylation site characterization was achieved via automated data-dependent CID-MS3 or ETD-MS/MS analysis due to the formation of the higher charge state precursor ions. Importantly, improved sequence coverage was observed using ETD-MS/MS following introduction of the sulfonium ion fixed charge, but with no detrimental effects on ETD fragmentation efficiency.

  1. Isobaric yield ratio difference between the 140 A MeV 58Ni + 9Be and 64Ni +9Be reactions studied by the antisymmetric molecular dynamics model

    NASA Astrophysics Data System (ADS)

    Qiao, C. Y.; Wei, H. L.; Ma, C. W.; Zhang, Y. L.; Wang, S. S.

    2015-07-01

    Background: The isobaric yield ratio difference (IBD) method is found to be sensitive to the density difference of neutron-rich nucleus induced reaction around the Fermi energy. Purpose: An investigation is performed to study the IBD results in the transport model. Methods: The antisymmetric molecular dynamics (AMD) model plus the sequential decay model gemini are adopted to simulate the 140 A MeV 58 ,64Ni +9Be reactions. A relative small coalescence radius Rc= 2.5 fm is used for the phase space at t = 500 fm/c to form the hot fragment. Two limitations on the impact parameter (b 1 =0 -2 fm and b 2 =0 -9 fm) are used to study the effect of central collisions in IBD. Results: The isobaric yield ratios (IYRs) for the large-A fragments are found to be suppressed in the symmetric reaction. The IBD results for fragments with neutron excess I = 0 and 1 are obtained. A small difference is found in the IBDs with the b 1 and b 2 limitations in the AMD simulated reactions. The IBD with b 1 and b 2 are quite similar in the AMD + GEMINI simulated reactions. Conclusions: The IBDs for the I =0 and 1 chains are mainly determined by the central collisions, which reflects the nuclear density in the core region of the reaction system. The increasing part of the IBD distribution is found due to the difference between the densities in the peripheral collisions of the reactions. The sequential decay process influences the IBD results. The AMD + GEMINI simulation can better reproduce the experimental IBDs than the AMD simulation.

  2. Adult performance on three tests of equilibrium.

    PubMed

    Fisher, A G; Wietlisbach, S E; Wilbarger, J L

    1988-01-01

    The purpose of this investigation was twofold: (a) to determine preliminary norms for young adult males and young adult females on three clinical tests of equilibrium, Tilt Board Tip (TBT), Tilt Board Reach (TBR), and Flat Board Reach (FBR), and (b) to determine sex differences in equilibrium performance. The three equilibrium tests were administered to a sample of 25 men and 29 women between the ages of 20 and 30 years. The results revealed a significant sex difference on TBT, with men obtaining significantly higher scores than women. FBR approached significance, and no significant difference was found on the TBR. These results support earlier findings of sex differences in performance on a variety of equilibrium measures and suggest that different normative criteria should be used to evaluate the performance of males and females on some tests of equilibrium. Possible reasons for males obtaining higher scores on TBT and for lack of differences between male and female performance on FBR and TBR are discussed. PMID:3354626

  3. Quasilocal energy and thermodynamic equilibrium conditions

    NASA Astrophysics Data System (ADS)

    Uzun, Nezihe; Wiltshire, David L.

    2015-08-01

    Equilibrium thermodynamic laws are typically applied to horizons in general relativity without stating the conditions that bring them into equilibrium. We fill this gap by applying a new thermodynamic interpretation to a generalized Raychaudhuri equation for a worldsheet orthogonal to a closed spacelike two-surface, the ‘screen’, which encompasses a system of arbitrary size in nonequilibrium with its surroundings in general. In the case of spherical symmetry this enables us to identify quasilocal thermodynamic potentials directly related to standard quasilocal energy definitions. Quasilocal thermodynamic equilibrium is defined by minimizing the mean extrinsic curvature of the screen. Moreover, without any direct reference to surface gravity, we find that the system comes into quasilocal thermodynamic equilibrium when the screen is located at a generalized apparent horizon. Examples of the Schwarzschild, Friedmann-Lemaître and Lemaître-Tolman geometries are investigated and compared. Conditions for the quasilocal thermodynamic and hydrodynamic equilibrium states to coincide are also discussed, and a quasilocal virial relation is suggested as a potential application of this approach.

  4. Radiative equilibrium in rapidly expanding shells

    NASA Technical Reports Server (NTRS)

    Hauschildt, P. H.

    1992-01-01

    The equation of radiative equilibrium for rapidly expanding spherical shells including the special relativistic terms is discussed, and a temperature-correction procedure for the solution of this equation is given. The temperature-correction scheme combines a partial linearization approach with the approximate Lambda-operator iteration method. For some test problems, the temperature structures of atmospheres in radiative equilibrium in the Lagrangian frame are calculated. The effects of the velocity field on the temperature stratification and the luminosity are also discussed. We find that the temperature structure of a moving photosphere in radiative equilibrium in the Lagrangian frame differs significantly from that of a static photosphere and that, at least, all first-order terms, in particular the advection and aberration terms, have to be included consistently both in the radiative transfer and the energy equation in studies of supernovae atmospheres and other high-speed radiating flows.

  5. Equilibrium reconstruction using EFIT code for KSTAR

    NASA Astrophysics Data System (ADS)

    You, Kwang-Il; Lee, D. K.; Jeon, Y. M.; Hahn, S. H.; Lao, L. L.

    2006-10-01

    For application to the KSTAR (Korea Superconducting Tokamak Advanced Research) device, we have made some modification to the EFIT code and installed it on our computing system. The main function of EFIT is reconstruction of plasma equilibrium using discharge data. After every discharge, the code will be run for a chosen time array and the results will be stored in the same way as experimental data will be. An MDSplus system will be used as the data storage for KSTAR; therefore, the EFIT reads experimental data from the MDSplus server and writes the results to it. We have added some subroutines to EFIT for direct link with the MDSplus server and also converted it to Fortran 95 form. Test runs of the code will be made by using the KSTAR plasma control system. This paper will also present results of equilibrium data obtained with the equilibrium mode of EFIT.

  6. KSTAR Equilibrium Reconstruction with EFIT Code

    NASA Astrophysics Data System (ADS)

    You, Kwang-Il; Lee, D. K.; Hahn, S. H.; Lao, L. L.

    2007-11-01

    For application to the KSTAR (Korea Superconducting Tokamak Advanced Research) device, we have made some modification to the EFIT code and installed it on our computing system. The main function of EFIT is reconstruction of plasma equilibrium using discharge data. After every discharge, the code will be automatically run for a chosen time array and the results will be stored in the same way as experimental data will be. An MDSplus system will be used as the data storage for KSTAR; therefore, the EFIT reads experimental data from the MDSplus server and writes the results to it. We have added some subroutines to EFIT for direct link with the MDSplus server and also converted EFIT to Fortran 95 form. Test runs of the code will be made by using plasma simulator in the KSTAR plasma control system. This paper will also present some results of equilibrium data obtained with the equilibrium mode of EFIT.

  7. Non-equilibrium quantum heat machines

    NASA Astrophysics Data System (ADS)

    Alicki, Robert; Gelbwaser-Klimovsky, David

    2015-11-01

    Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.

  8. MCNP modelling of the PBMR equilibrium core

    SciTech Connect

    Albornoz, F.; Korochinsky, S.

    2006-07-01

    A complete MCNP model of the PBMR equilibrium core is presented, which accounts for the same fuel regions defined in the PBMR core management code, as well as for complete fuel and reflector temperature distributions. This comprehensive 3D model is the means to calculate and characterize the neutron and photon boundary sources of the equilibrium core, and is also used to support some specific core neutronic studies needing detailed geometry modelling. Due to the geometrical modelling approach followed, an unrealistic partial cutting of fuel kernels and pebbles is introduced in the model. The variations introduced by this partial cutting both on the packing fraction and on the uranium load of the modelled core and its corresponding effect on core reactivity and flux levels, have been investigated and quantified. A complete set of high-temperature cross-section data was applied to the calculation of the PBMR equilibrium core, and its effect on the calculated core reactivity is also reported. (authors)

  9. Equilibrium versus disequilibrium of barchan dunes

    NASA Astrophysics Data System (ADS)

    El belrhiti, Hicham; Douady, Stéphane

    2011-02-01

    Barchans are crescentic dunes which occur in mainly mono-directional winds. Shape, aspect ratios and velocities of these dunes have been studied as if they were in equilibrium. However, following a study of the shape and migration of 11 barchans of different sizes for 18 months in the field on Moroccan Atlantic Sahara, we show that they only appear to be in a stationary state if studied over a long timeframe (at the scale of the year or several years), but are never in equilibrium at the scale of weeks or months. Rather, they are always 'trying' to reach a possible equilibrium state but never have enough time to accomplish this. This may be the main reason for the large variation observed in previous measurements, and justifies some caution in what can be deduced from them.

  10. Analytic prediction of airplane equilibrium spin characteristics

    NASA Technical Reports Server (NTRS)

    Adams, W. M., Jr.

    1972-01-01

    The nonlinear equations of motion are solved algebraically for conditions for which an airplane is in an equilibrium spin. Constrained minimization techniques are employed in obtaining the solution. Linear characteristics of the airplane about the equilibrium points are also presented and their significance in identifying the stability characteristics of the equilibrium points is discussed. Computer time requirements are small making the method appear potentially applicable in airplane design. Results are obtained for several configurations and are compared with other analytic-numerical methods employed in spin prediction. Correlation with experimental results is discussed for one configuration for which a rather extensive data base was available. A need is indicated for higher Reynolds number data taken under conditions which more accurately simulate a spin.

  11. Equilibrium partition function for nonrelativistic fluids

    NASA Astrophysics Data System (ADS)

    Banerjee, Nabamita; Dutta, Suvankar; Jain, Akash

    2015-10-01

    We construct an equilibrium partition function for a nonrelativistic fluid and use it to constrain the dynamics of the system. The construction is based on light cone reduction, which is known to reduce the Poincar symmetry to Galilean in one lower dimension. We modify the constitutive relations of a relativistic fluid, and find that its symmetry broken phase"null fluid" is equivalent to the nonrelativistic fluid. In particular, their symmetries, thermodynamics, constitutive relations, and equilibrium partition function match exactly to all orders in derivative expansion.

  12. Dynamically defined measures and equilibrium states

    NASA Astrophysics Data System (ADS)

    Werner, Ivan

    2011-12-01

    A technique of dynamically defined measures is developed and its relation to the theory of equilibrium states is shown. The technique uses Carathéodory's method and the outer measure introduced in a previous work by I. Werner [Math. Proc. Camb. Phil. Soc. 140(2), 333-347 (2006), 10.1017/S0305004105009072]. As an application, equilibrium states for contractive Markov systems [I. Werner, J. London Math. Soc. 71(1), 236-258 (2005), 10.1112/S0024610704006088] are obtained.

  13. Far-from-equilibrium kinetic processes

    NASA Astrophysics Data System (ADS)

    Rubí, J. Miguel; Pérez-Madrid, Agustin

    2015-12-01

    We analyze the kinetics of activated processes that take place under far-from-equilibrium conditions, when the system is subjected to external driving forces or gradients or at high values of affinities. We use mesoscopic non-equilibrium thermodynamics to show that when a force is applied, the reaction rate depends on the force. In the case of a chemical reaction at high affinity values, the reaction rate is no longer constant but depends on affinity, which implies that the law of mass action is no longer valid. This result is in good agreement with the kinetic theory of reacting gases, which uses a Chapman-Enskog expansion of the probability distribution.

  14. Algorithm For Hypersonic Flow In Chemical Equilibrium

    NASA Technical Reports Server (NTRS)

    Palmer, Grant

    1989-01-01

    Implicit, finite-difference, shock-capturing algorithm calculates inviscid, hypersonic flows in chemical equilibrium. Implicit formulation chosen because overcomes limitation on mathematical stability encountered in explicit formulations. For dynamical portion of problem, Euler equations written in conservation-law form in Cartesian coordinate system for two-dimensional or axisymmetric flow. For chemical portion of problem, equilibrium state of gas at each point in computational grid determined by minimizing local Gibbs free energy, subject to local conservation of molecules, atoms, ions, and total enthalpy. Major advantage: resulting algorithm naturally stable and captures strong shocks without help of artificial-dissipation terms to damp out spurious numerical oscillations.

  15. Putting A Human Face on Equilibrium

    NASA Astrophysics Data System (ADS)

    Glickstein, Neil

    2005-03-01

    A short biography of chemist Fritz Haber is used to personalize the abstract concepts of equilibrium chemistry for high school students in an introductory course. In addition to giving the Haber Bosch process an historic, an economic, and a scientific background the reading and subsequent discussion allows students for whom the human perspective is of paramount importance a chance to investigate the irony of balance or equilibrium in Haber's life story. Since the inclusion of the Haber biography, performance in the laboratory and on examinations for those students who are usually only partially engaged has dramatically improved.

  16. Equilibrium stellar systems with genetic algorithms

    NASA Astrophysics Data System (ADS)

    Gularte, E.; Carpintero, D. D.

    In 1979, M Schwarzschild showed that it is possible to build an equilibrium triaxial stellar system. However, the linear programmation used to that goal was not able to determine the uniqueness of the solution, nor even if that solution was the optimum one. Genetic algorithms are ideal tools to find a solution to this problem. In this work, we use a genetic algorithm to reproduce an equilibrium spherical stellar system from a suitable set of predefined orbits, obtaining the best solution attainable with the provided set. FULL TEXT IN SPANISH

  17. Pions in and out of equilibrium

    SciTech Connect

    Gavin, S.

    1991-12-01

    Can final state scattering wrestle the secondaries in nucleus-nucleus collisions into a fluid state near local thermal equilibrium? What do the pion p{sub T} spectra measured in pp, pA and SPS light ion experiments already tell us about the approach to equilibrium? To begin to address these questions, we must face the nonequilibrium nature of hadronic evolution in the late stages of these collisions. I will outline efforts to apply transport theory to the nonequilibrium pion fluid at midrapidity focusing on two phenomena: partial thermalization and pion conservation.

  18. Pions in and out of equilibrium

    SciTech Connect

    Gavin, S.

    1991-12-01

    Can final state scattering wrestle the secondaries in nucleus-nucleus collisions into a fluid state near local thermal equilibrium What do the pion p{sub T} spectra measured in pp, pA and SPS light ion experiments already tell us about the approach to equilibrium To begin to address these questions, we must face the nonequilibrium nature of hadronic evolution in the late stages of these collisions. I will outline efforts to apply transport theory to the nonequilibrium pion fluid at midrapidity focusing on two phenomena: partial thermalization and pion conservation.

  19. Computing Properties Of Chemical Mixtures At Equilibrium

    NASA Technical Reports Server (NTRS)

    Mcbride, B. J.; Gordon, S.

    1995-01-01

    Scientists and engineers need data on chemical equilibrium compositions to calculate theoretical thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93 is general program that calculates chemical equilibrium compositions and properties of mixtures for any chemical system for which thermodynamic data are available. Includes thermodynamic data for more than 1,300 gaseous and condensed species and thermal-transport data for 151 gases. Written in FORTRAN 77.

  20. Isodynamic axisymmetric equilibrium near the magnetic axis

    SciTech Connect

    Arsenin, V. V.

    2013-08-15

    Plasma equilibrium near the magnetic axis of an axisymmetric toroidal magnetic confinement system is described in orthogonal flux coordinates. For the case of a constant current density in the vicinity of the axis and magnetic surfaces with nearly circular cross sections, expressions for the poloidal and toroidal magnetic field components are obtained in these coordinates by using expansion in the reciprocal of the aspect ratio. These expressions allow one to easily derive relationships between quantities in an isodynamic equilibrium, in which the absolute value of the magnetic field is constant along the magnetic surface (Palumbo’s configuration)

  1. Return to equilibrium in the XY model

    SciTech Connect

    Hume, L.; Robinson, D.W.

    1986-09-01

    We prove that the locally perturbed XY model returns to equilibrium under the unperturbed evolution but the unperturbed model does not necessarily approach equilibrium under the perturbed evolution. In fact this latter property is false for perturbation by a local magnetization. The failure is directly attributable to the formation of bound states. If the perturbation is quadratic these problems are reduced to spectral analysis of the one-particle Hamiltonian. We demonstrate that the perturbed Hamiltonian has a finite set of eigenvalues of finite multiplicity together with some absolutely continuous spectrum. Eigenvalues can occur in the continuum if, and only if, the perturbation dislocates the system. Singular continuous spectrum cannot occur.

  2. 46 CFR 42.20-12 - Conditions of equilibrium.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 2 2013-10-01 2013-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet...

  3. 46 CFR 42.20-12 - Conditions of equilibrium.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 2 2010-10-01 2010-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet...

  4. 46 CFR 42.20-12 - Conditions of equilibrium.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 2 2012-10-01 2012-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet...

  5. 46 CFR 42.20-12 - Conditions of equilibrium.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 2 2014-10-01 2014-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet...

  6. 46 CFR 42.20-12 - Conditions of equilibrium.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 2 2011-10-01 2011-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet...

  7. Generalized convective quasi-equilibrium principle

    NASA Astrophysics Data System (ADS)

    Yano, Jun-Ichi; Plant, Robert S.

    2016-03-01

    A generalization of Arakawa and Schubert's convective quasi-equilibrium principle is presented for a closure formulation of mass-flux convection parameterization. The original principle is based on the budget of the cloud work function. This principle is generalized by considering the budget for a vertical integral of an arbitrary convection-related quantity. The closure formulation includes Arakawa and Schubert's quasi-equilibrium, as well as both CAPE and moisture closures as special cases. The formulation also includes new possibilities for considering vertical integrals that are dependent on convective-scale variables, such as the moisture within convection. The generalized convective quasi-equilibrium is defined by a balance between large-scale forcing and convective response for a given vertically-integrated quantity. The latter takes the form of a convolution of a kernel matrix and a mass-flux spectrum, as in the original convective quasi-equilibrium. The kernel reduces to a scalar when either a bulk formulation is adopted, or only large-scale variables are considered within the vertical integral. Various physical implications of the generalized closure are discussed. These include the possibility that precipitation might be considered as a potentially-significant contribution to the large-scale forcing. Two dicta are proposed as guiding physical principles for the specifying a suitable vertically-integrated quantity.

  8. General Equilibrium Models: Improving the Microeconomics Classroom

    ERIC Educational Resources Information Center

    Nicholson, Walter; Westhoff, Frank

    2009-01-01

    General equilibrium models now play important roles in many fields of economics including tax policy, environmental regulation, international trade, and economic development. The intermediate microeconomics classroom has not kept pace with these trends, however. Microeconomics textbooks primarily focus on the insights that can be drawn from the

  9. A Progression of Static Equilibrium Laboratory Exercises

    ERIC Educational Resources Information Center

    Kutzner, Mickey; Kutzner, Andrew

    2013-01-01

    Although simple architectural structures like bridges, catwalks, cantilevers, and Stonehenge have been integral in human societies for millennia, as have levers and other simple tools, modern students of introductory physics continue to grapple with Newton's conditions for static equilibrium. As formulated in typical introductory physics

  10. Assessing Students' Conceptual Understanding of Solubility Equilibrium.

    ERIC Educational Resources Information Center

    Raviolo, Andres

    2001-01-01

    Presents a problem on solubility equilibrium which involves macroscopic, microscopic, and symbolic levels of representation as a resource for the evaluation of students, and allows for assessment as to whether students have acquired an adequate conceptual understanding of the phenomenon. Also diagnoses difficulties with regard to previous

  11. A Progression of Static Equilibrium Laboratory Exercises

    ERIC Educational Resources Information Center

    Kutzner, Mickey; Kutzner, Andrew

    2013-01-01

    Although simple architectural structures like bridges, catwalks, cantilevers, and Stonehenge have been integral in human societies for millennia, as have levers and other simple tools, modern students of introductory physics continue to grapple with Newton's conditions for static equilibrium. As formulated in typical introductory physics…

  12. General Equilibrium Models: Improving the Microeconomics Classroom

    ERIC Educational Resources Information Center

    Nicholson, Walter; Westhoff, Frank

    2009-01-01

    General equilibrium models now play important roles in many fields of economics including tax policy, environmental regulation, international trade, and economic development. The intermediate microeconomics classroom has not kept pace with these trends, however. Microeconomics textbooks primarily focus on the insights that can be drawn from the…

  13. On the equilibrium of rotating filaments

    NASA Astrophysics Data System (ADS)

    Recchi, S.; Hacar, A.; Palestini, A.

    2014-10-01

    The physical properties of the so-called Ostriker isothermal, non-rotating filament have been classically used as benchmark to interpret the stability of the filaments observed in nearby clouds. However, such static picture seems to contrast with the more dynamical state observed in different filaments. In order to explore the physical conditions of filaments under realistic conditions, in this work we theoretically investigate how the equilibrium structure of a filament changes in a rotating configuration. To do so, we solve the hydrostatic equilibrium equation assuming both uniform and differential rotations independently. We obtain a new set of equilibrium solutions for rotating and pressure truncated filaments. These new equilibrium solutions are found to present both radial and projected column density profiles shallower than their Ostriker-like counterparts. Moreover, and for rotational periods similar to those found in the observations, the centrifugal forces present in these filaments are also able to sustain large amounts of mass (larger than the mass attained by the Ostriker filament) without being necessary unstable. Our results indicate that further analysis on the physical state of star-forming filaments should take into account rotational effects as stabilizing agents against gravity.

  14. Teaching Chemical Equilibrium with the Jigsaw Technique

    ERIC Educational Resources Information Center

    Doymus, Kemal

    2008-01-01

    This study investigates the effect of cooperative learning (jigsaw) versus individual learning methods on students' understanding of chemical equilibrium in a first-year general chemistry course. This study was carried out in two different classes in the department of primary science education during the 2005-2006 academic year. One of the classes

  15. EQUILIBRIUM MOISTURE CONTENT OF PEARL MILLET

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Moisture content has a significant influence in the storability of cereal grains. The relationship of temperature, relative humidity, and equilibrium moisture can indicate the need for drying grain to improve storability and prevent grain mold development. This information is available for many grai...

  16. Calculating Shocks In Flows At Chemical Equilibrium

    NASA Technical Reports Server (NTRS)

    Eberhardt, Scott; Palmer, Grant

    1988-01-01

    Boundary conditions prove critical. Conference paper describes algorithm for calculation of shocks in hypersonic flows of gases at chemical equilibrium. Although algorithm represents intermediate stage in development of reliable, accurate computer code for two-dimensional flow, research leading up to it contributes to understanding of what is needed to complete task.

  17. The 'Schwarzschild-Kerr' Equilibrium Configurations

    SciTech Connect

    Manko, V. S.; Ruiz, E.

    2010-12-07

    We discuss the possibility of equilibrium between a Schwarzschild black hole possessing zero intrinsic angular momentum and a hyperextreme Kerr source. The balance occurs due to frame-dragging exerted by the latter source on the black-hole constituent, thus giving rise to a non-zero horizon's angular velocity parallel to the angular momentum of the Kerr object.

  18. Spontaneity and Equilibrium II: Multireaction Systems

    ERIC Educational Resources Information Center

    Raff, Lionel M.

    2014-01-01

    The thermodynamic criteria for spontaneity and equilibrium in multireaction systems are developed and discussed. When N reactions are occurring simultaneously, it is shown that G and A will depend upon N independent reaction coordinates, ?a (a = 1,2, ..., N), in addition to T and p for G or T and V for A. The general criteria for spontaneity and

  19. Chemical Equilibrium Composition of Aqueous Systems

    Energy Science and Technology Software Center (ESTSC)

    1996-12-30

    MINEQL is a subroutine package to calculate equilibrium composition of an aqueous system, accounting for mass transfer. MINEQL-EIR contains an additional base on enthalpy and heat capacity data and has the option to do calculations at temperatures different from 25 degrees C.

  20. Exploring Chemical Equilibrium in Hot Jovians

    NASA Astrophysics Data System (ADS)

    Blumenthal, Sarah; Harrington, Joseph; Mandell, Avi; Hébrard, Eric; Venot, Olivia; Cubillos, Patricio; Blecic, Jasmina; Challener, Ryan

    2016-01-01

    It has been established that equilibrium chemistry is usually achieved deep in the atmosphere of hot Jovians where timescales are short (Line and Yung 2013). Thus, equilibrium chemistry has been used as a starting point (setting initial conditions) for evaluating disequilibrium processes. We explore parameters of setting these initial conditions including departures from solar metallicity, the number of species allowed in a system, the types of species allowed in a system, and different thermodynamic libraries in an attempt to create a standard for evaluating equilibrium chemistry. NASA's open source code Chemical Equilibrium and Applications (CEA) is used to calculate model planet abundances by varying the metallicity, in the pressure regime 0.1 to 1 bar. These results are compared to a variety of exoplanets(Teq between 600 and 2100K) qualitatively by color maps of the dayside with different temperature redistributions. Additionally, CEA (with an up-dated thermodynamic library) is compared with the thermochemical model presented in Venotet al. (2012) for HD 209458b and HD 189733b. This same analysis is then applied to the cooler planet HD 97658b. Spectra are generated and we compare both models' outputs using the open source codetransit (https://github.com/exosports/transit) using the opacities of 15 molecules. We make the updated CEA thermodyanamic library and supporting Python scripts to do the CEA analyses available open source. Thiswork was supported by NASA Planetary Atmospheres grant NNX12AI69G.

  1. Exploring Equilibrium Chemistry for Hot Exoplanets

    NASA Astrophysics Data System (ADS)

    Blumenthal, Sarah; Harrington, Joseph; Mandell, Avi; Hébrard, Eric; Venot, Olivia; Cubillos, Patricio; Challener, Ryan

    2015-11-01

    It has been established that equilibrium chemistry is usually achieved deep in the atmosphere of hot Jovians where timescales are short (Line and Young 2013). Thus, equilibrium chemistry has been used as a starting point (setting initial conditions) for evaluating disequilibrium processes. We explore parameters of setting these initial conditions including departures from solar metallicity, the number of species allowed in a system, the types of species allowed in a system, and different thermodynamic libraries in an attempt to create a standard for evaluating equilibrium chemistry. NASA's open source code Chemical Equilibrium and Applications (CEA) is used to calculate model planet abundances by varying the metallicity, in the pressure regime of 0.1 to 1 bar. These results are compared to a variety of exoplanets (Teq between 600 and 2100K) qualitatively by color maps of the dayside with different temperature redistributions. Additionally, CEA (with an updated thermodynamic library) is validated with the thermochemical model presented in Venot et al. (2012) for HD 209458b and HD 189733b. This same analysis has then been extended to the cooler planet HD 97658b. Spectra are generated from both models’ abundances using the open source code transit (https://github.com/exosports/transit) using the opacities of 15 molecules. We make the updated CEA thermodyanamic library and supporting Python scripts to do the CEA analyses available open source. This work was supported by NASA Planetary Atmospheres grant NNX12AI69G.

  2. Spontaneity and Equilibrium II: Multireaction Systems

    ERIC Educational Resources Information Center

    Raff, Lionel M.

    2014-01-01

    The thermodynamic criteria for spontaneity and equilibrium in multireaction systems are developed and discussed. When N reactions are occurring simultaneously, it is shown that G and A will depend upon N independent reaction coordinates, ?a (a = 1,2, ..., N), in addition to T and p for G or T and V for A. The general criteria for spontaneity and…

  3. Equilibrium shapes of crystals attached to walls

    NASA Astrophysics Data System (ADS)

    Kotecký, R.; Pfister, C.-E.

    1994-07-01

    We discuss equilibrium shapes of crystals attached to walls. Optimal shapes for different configurations of walls are found and the minimality of the overall surface tension is proven with the help of a simple geometrical argument based on the isoperimetric inequality and monotonicity. Stability results in the form of Bonnesen inequalities are obtained in the two-dimensional case.

  4. Teaching Chemical Equilibrium with the Jigsaw Technique

    ERIC Educational Resources Information Center

    Doymus, Kemal

    2008-01-01

    This study investigates the effect of cooperative learning (jigsaw) versus individual learning methods on students' understanding of chemical equilibrium in a first-year general chemistry course. This study was carried out in two different classes in the department of primary science education during the 2005-2006 academic year. One of the classes…

  5. Equilibrium Molecular Thermodynamics from Kirkwood Sampling

    PubMed Central

    2015-01-01

    We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys.2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the potential energy surface. The first method is a variant of biased Monte Carlo, where Kirkwood sampling is used for generating trial Monte Carlo moves. Using this method, equilibrium distributions corresponding to different temperatures and potential energy functions can be generated from a given set of low-order correlations. Since Kirkwood samples are generated independently, this method is ideally suited for massively parallel distributed computing. The second approach is a variant of reservoir replica exchange, where Kirkwood sampling is used to construct a reservoir of conformations, which exchanges conformations with the replicas performing equilibrium sampling corresponding to different thermodynamic states. Coupling with the Kirkwood reservoir enhances sampling by facilitating global jumps in the conformational space. The efficiency of both methods depends on the overlap of the Kirkwood distribution with the target equilibrium distribution. We present proof-of-concept results for a model nine-atom linear molecule and alanine dipeptide. PMID:25915525

  6. Payload specialists Patrick Baudry conducts equilibrium experiments

    NASA Technical Reports Server (NTRS)

    1985-01-01

    Payload specialists Patrick Baudry participates in an experiment involving equilibrium and vertigo. He is anchored to the orbiter floor by foot restraints and is wearing a device over his eyes to measure angular head movement and up and down eye movement.

  7. Group Contribution Methods for Phase Equilibrium Calculations.

    PubMed

    Gmehling, Jürgen; Constantinescu, Dana; Schmid, Bastian

    2015-01-01

    The development and design of chemical processes are carried out by solving the balance equations of a mathematical model for sections of or the whole chemical plant with the help of process simulators. For process simulation, besides kinetic data for the chemical reaction, various pure component and mixture properties are required. Because of the great importance of separation processes for a chemical plant in particular, a reliable knowledge of the phase equilibrium behavior is required. The phase equilibrium behavior can be calculated with the help of modern equations of state or g(E)-models using only binary parameters. But unfortunately, only a very small part of the experimental data for fitting the required binary model parameters is available, so very often these models cannot be applied directly. To solve this problem, powerful predictive thermodynamic models have been developed. Group contribution methods allow the prediction of the required phase equilibrium data using only a limited number of group interaction parameters. A prerequisite for fitting the required group interaction parameters is a comprehensive database. That is why for the development of powerful group contribution methods almost all published pure component properties, phase equilibrium data, excess properties, etc., were stored in computerized form in the Dortmund Data Bank. In this review, the present status, weaknesses, advantages and disadvantages, possible applications, and typical results of the different group contribution methods for the calculation of phase equilibria are presented. PMID:26247292

  8. Non-equilibrium in soil hydraulic modelling

    NASA Astrophysics Data System (ADS)

    Vogel, H.-J.; Weller, U.; Ippisch, O.

    2010-10-01

    SummaryA notorious problem in modelling water dynamics within the unsaturated zone is preferential flow and temporal non-equilibrium between water content and water potential. These phenomena originate from the ubiquitous spatial heterogeneity of soil hydraulic properties and substantially hampers the prediction of solute transport from the soil surface towards groundwater. The characteristic scale of these processes is the soil profile or 'pedon scale' where modelling of water dynamics is typically based on the well established Richards equation which has been augmented by various conceptual approaches to represent preferential flow phenomena. In this paper we investigate through numerical case studies hydraulic non-equilibrium during infiltration of water into relatively dry, heterogeneous soil profiles, which is the most prominent scenario where non-equilibrium conditions affect the overall dynamics of water and solutes. We start from well-defined local heterogeneities in a two-dimensional domain and we analyze the dynamics of water content and water potential at the models full spatial resolution. Based on our numerical results we approach the problem of how to represent the heterogeneous setting by an effective one-dimensional description. For practical purposes of large scale applications, such one-dimensional schemes are highly required. As a prerequisite, soil types need to be represented by a reduced set of effective hydraulic properties. The main challenge is to preserve preferential flow phenomena in such simplified one-dimensional models. We demonstrate that classical approaches of volume averaging do not reflect non-equilibrium effects. From the different concepts for representing hydraulic non-equilibrium we focus on an approach proposed by Ross and Smettem [Ross, P., Smettem, K.R.J., 2000. A simple treatment of physical non-equilibrium water flow in soil. Soil Sci. Soc. Am. J. 64, 1926-1930] to decouple water content and water potential. This concept is corroborated by our numerical results and we discuss the possibility to link non-equilibrium dynamics and the related model parameters to observable structural properties of the material.

  9. Equilibrium and off-equilibrium trap-size scaling in one-dimensional ultracold bosonic gases

    SciTech Connect

    Campostrini, Massimo; Vicari, Ettore

    2010-12-15

    We study some aspects of equilibrium and off-equilibrium quantum dynamics of dilute bosonic gases in the presence of a trapping potential. We consider systems with a fixed number of particles and study their scaling behavior with increasing the trap size. We focus on one-dimensional bosonic systems, such as gases described by the Lieb-Liniger model and its Tonks-Girardeau limit of impenetrable bosons, and gases constrained in optical lattices as described by the Bose-Hubbard model. We study their quantum (zero-temperature) behavior at equilibrium and off equilibrium during the unitary time evolution arising from changes of the trapping potential, which may be instantaneous or described by a power-law time dependence, starting from the equilibrium ground state for an initial trap size. Renormalization-group scaling arguments and analytical and numerical calculations show that the trap-size dependence of the equilibrium and off-equilibrium dynamics can be cast in the form of a trap-size scaling in the low-density regime, characterized by universal power laws of the trap size, in dilute gases with repulsive contact interactions and lattice systems described by the Bose-Hubbard model. The scaling functions corresponding to several physically interesting observables are computed. Our results are of experimental relevance for systems of cold atomic gases trapped by tunable confining potentials.

  10. Effective equilibrium theory of nonequilibrium quantum transport

    SciTech Connect

    Dutt, Prasenjit; Koch, Jens; Han, Jong; Le Hur, Karyn

    2011-12-15

    The theoretical description of strongly correlated quantum systems out of equilibrium presents several challenges and a number of open questions persist. Here, we focus on nonlinear electronic transport through an interacting quantum dot maintained at finite bias using a concept introduced by Hershfield [S. Hershfield, Phys. Rev. Lett. 70 2134 (1993)] whereby one can express such nonequilibrium quantum impurity models in terms of the system's Lippmann-Schwinger operators. These scattering operators allow one to reformulate the nonequilibrium problem as an effective equilibrium problem associated with a modified Hamiltonian. In this paper, we provide a pedagogical analysis of the core concepts of the effective equilibrium theory. First, we demonstrate the equivalence between observables computed using the Schwinger-Keldysh framework and the effective equilibrium approach, and relate Green's functions in the two theoretical frameworks. Second, we expound some applications of this method in the context of interacting quantum impurity models. We introduce a novel framework to treat effects of interactions perturbatively while capturing the entire dependence on the bias voltage. For the sake of concreteness, we employ the Anderson model as a prototype for this scheme. Working at the particle-hole symmetric point, we investigate the fate of the Abrikosov-Suhl resonance as a function of bias voltage and magnetic field. - Highlights: > Reformulation of steady-state nonequilibrium quantum transport, following Hershfield. > Derivation of effective equilibrium density operator using the 'open-system' approach. > Equivalence with the Keldysh description and formulas relating the two approaches. > Novel framework to treat interactions perturbatively. > Application to nonequilibrium Anderson model and fate of Abrikosov-Suhl resonance.

  11. Equilibrium gas flow computations. I - Accurate and efficient calculation of equilibrium gas properties

    NASA Technical Reports Server (NTRS)

    Liu, Yen; Vinokur, Marcel

    1989-01-01

    This paper treats the accurate and efficient calculation of thermodynamic properties of arbitrary gas mixtures for equilibrium flow computations. New improvements in the Stupochenko-Jaffe model for the calculation of thermodynamic properties of diatomic molecules are presented. A unified formulation of equilibrium calculations for gas mixtures in terms of irreversible entropy is given. Using a highly accurate thermo-chemical data base, a new, efficient and vectorizable search algorithm is used to construct piecewise interpolation procedures with generate accurate thermodynamic variable and their derivatives required by modern computational algorithms. Results are presented for equilibrium air, and compared with those given by the Srinivasan program.

  12. Equilibrium and non-equilibrium dynamics simultaneously operate in the Galápagos islands.

    PubMed

    Valente, Luis M; Phillimore, Albert B; Etienne, Rampal S

    2015-08-01

    Island biotas emerge from the interplay between colonisation, speciation and extinction and are often the scene of spectacular adaptive radiations. A common assumption is that insular diversity is at a dynamic equilibrium, but for remote islands, such as Hawaii or Galápagos, this idea remains untested. Here, we reconstruct the temporal accumulation of terrestrial bird species of the Galápagos using a novel phylogenetic method that estimates rates of biota assembly for an entire community. We show that species richness on the archipelago is in an ascending phase and does not tend towards equilibrium. The majority of the avifauna diversifies at a slow rate, without detectable ecological limits. However, Darwin's finches form an exception: they rapidly reach a carrying capacity and subsequently follow a coalescent-like diversification process. Together, these results suggest that avian diversity of remote islands is rising, and challenge the mutual exclusivity of the non-equilibrium and equilibrium ecological paradigms. PMID:26105791

  13. Equilibrium morphology of misfit particles in elastically stressed solids under chemo-mechanical equilibrium conditions

    NASA Astrophysics Data System (ADS)

    Zhao, Xujun; Bordas, Stphane P. A.; Qu, Jianmin

    2015-08-01

    This paper studies the effects of chemical, elastic and interfacial energies on the equilibrium morphology of misfit particles due to phase separation in binary alloys under chemo-mechanical equilibrium conditions. A continuum framework that governs the chemo-mechanical equilibrium of the system is first developed using a variational approach by treating the phase interface as a sharp interface endowed with interfacial excess energy. An extended finite element method (XFEM) in conjunction with the level set method is then developed to simulate the behaviors of the coupled chemo-mechanical system. The coupled chemo-mechanics model together with the numerical techniques developed here provides an efficient simulation tool to predict the equilibrium morphologies of precipitates in phase separate alloys.

  14. Equilibrium and Pre-Equilibrium Studies in Some Alpha Induced Reactions on Rhodium

    NASA Astrophysics Data System (ADS)

    Agarwal, Avinash; Bhardwaj, M.; Rizvi, I.; Chaubey, A.

    2001-10-01

    Excitation functions of the reactions (α, 2n), (α, 3n), and (α, 4n) for 103Rh have been measured with stacked foil activation technique for the projectile energies below 50 MeV α-particles. A large volume HPGe detector was used. The experimental data were compared with the calculated values obtained from the CASCADE code based on statistical model and ALICE-91 code based on Hybrid and Geometry Dependent Hybrid Models. It is found that the pre-equilibrium contribution is more pronounced in the high energy region of the excitation functions and the experimental data are explained only when the pre-equilibrium emission phenomenon is also taken into account along with the equilibrium decay. The percentage of pre-equilibrium fraction has also been calculated.

  15. Quantitative Proteomic Analysis of Serum from Pregnant Women Carrying a Fetus with Conotruncal Heart Defect Using Isobaric Tags for Relative and Absolute Quantitation (iTRAQ) Labeling

    PubMed Central

    Zhang, Ying; Kang, Yuan; Zhou, Qiongjie; Zhou, Jizi; Wang, Huijun; Jin, Hong; Liu, Xiaohui; Ma, Duan; Li, Xiaotian

    2014-01-01

    Objective To identify differentially expressed proteins from serum of pregnant women carrying a conotruncal heart defects (CTD) fetus, using proteomic analysis. Methods The study was conducted using a nested case-control design. The 5473 maternal serum samples were collected at 14–18 weeks of gestation. The serum from 9 pregnant women carrying a CTD fetus, 10 with another CHD (ACHD) fetus, and 11 with a normal fetus were selected from the above samples, and analyzed by using isobaric tags for relative and absolute quantitation (iTRAQ) coupled with two-dimensional liquid chromatography-tandem mass spectrometry(2D LC-MS/MS). The differentially expressed proteins identified by iTRAQ were further validated with Western blot. Results A total of 105 unique proteins present in the three groups were identified, and relative expression data were obtained for 92 of them with high confidence by employing the iTRAQ-based experiments. The downregulation of gelsolin in maternal serum of fetus with CTD was further verified by Western blot. Conclusions The identification of differentially expressed protein gelsolin in the serum of the pregnant women carrying a CTD fetus by using proteomic technology may be able to serve as a foundation to further explore the biomarker for detection of CTD fetus from the maternal serum. PMID:25393621

  16. Isobar-model partial-wave analysis of πN-->ππN in the c.m. energy range 1320-1930 MeV

    NASA Astrophysics Data System (ADS)

    Manley, D. Mark; Arndt, Richard A.; Goradia, Yogesh; Teplitz, Vigdor L.

    1984-09-01

    We study the reactions πN-->ππN in the center-of-mass energy range 1320-1930 MeV within the framework of the isobar model. The present analysis includes over 30% more events than the most extensive previous analysis. Data for π-p-->π+π-n, π-p-->π0π-p, π+p-->π0π+p, and π+p-->π+π+n are simultaneously fitted assuming production of ɛ, ρ, Δ(P33) and N*(P11). The cross section for π-p-->π0π0n is predicted and found to be in good agreement with experiment. πN-->πN* amplitudes for I=12 are investigated for the first time. We confirm the existence of a significant πN* decay for the second P33 resonance and determine that πN* is the dominant inelastic channel for the P31 partial wave. The ρN decay of the G17 wave is observed for the first time. Evidence is found for unestablished resonances near 1900 MeV in the S11, P11, P13, and F15 partial waves. We also discuss evidence for a second F35 resonance. Signs of resonant amplitudes determined from this analysis are compared with results of previous analyses and with predictions from several models.

  17. Global Metabolomic and Isobaric Tagging Capillary Liquid Chromatography–Tandem Mass Spectrometry Approaches for Uncovering Pathway Dysfunction in Diabetic Mouse Aorta

    PubMed Central

    2015-01-01

    Despite the prevalence of diabetes and the global health risks it poses, the biochemical pathogenesis of diabetic complications remains poorly understood with few effective therapies. This study employs capillary liquid chromatography (capLC) and tandem mass spectrometry (MS/MS) in conjunction with both global metabolomics and isobaric tags specific to amines and carbonyls to probe aortic metabolic content in diabetic mice with hyperglycemia, hyperlipidemia, hypertension, and stenotic vascular damage. Using these combined techniques, metabolites well-characterized in diabetes as well as novel pathways were investigated. A total of 53 986 features were detected, 719 compounds were identified as having significant fold changes (thresholds ≥2 or ≤0.5), and 48 metabolic pathways were found to be altered with at least 2 metabolite hits in diabetic samples. Pathways related to carbonyl stress, carbohydrate metabolism, and amino acid metabolism showed the greatest number of metabolite changes. Three novel pathways with previously limited or undescribed roles in diabetic complications—vitamin B6, propanoate, and butanoate metabolism—were also shown to be altered in multiple points along the pathway. These discoveries support the theory that diabetic vascular complications arise from the interplay of a myriad of metabolic pathways in conjunction with oxidative and carbonyl stress, which may provide not only new and much needed biomarkers but also insights into novel therapeutic targets. PMID:25368974

  18. Nuclear structure beyond the neutron drip line. The lowest energy states in 9He via their T=5/2 isobaric analogs in 9Li

    DOE PAGESBeta

    Uberseder, E.; Rogachev, G. V.; Goldberg, V. Z.; Koshchiy, E.; Roeder, B. T.; Alcorta, M.; Chubarian, G.; Davids, B.; Fu, C.; Hooker, J.; et al

    2016-03-01

    The level structure of the very neutron rich and unbound 9He nucleus has been the subject of significant experimental and theoretical study. Many recent works have claimed that the two lowest energy 9He states exist with spins Jπ=1/2+and Jπ=1/2-and widths on the order of 100–200 keV. These find-ings cannot be reconciled with our contemporary understanding of nuclear structure. Our present work is the first high-resolution study with low statistical uncertainty of the relevant excitation energy range in the 8He+n system, performed via a search for the T =5/2 isobaric analog states in 9Li populated through 8He+p elastic scattering. Moreover, themore » present data show no indication of any narrow structures. Instead, we find evidence for a broad Jπ=1/2+state in 9He located approximately 3 MeV above the neutron decay threshold.« less

  19. First and Second-Phase Transitions of Gases at Isobaric Process; Lennard-Jones (9,6) Gases with a Hard Core

    NASA Astrophysics Data System (ADS)

    Matsumoto, Akira

    2014-12-01

    The thermodynamic functions for Lennard-Jones (9,6) gases with a hard core that are evaluated till the third virial coefficients, are investigated at an isobaric process. Some thermodynamic functions are analytically expressed as functions of intensive variables, temperature, and pressure. Some thermodynamic quantities for carbon dioxide are calculated numerically and drawn graphically. In critical states, the heat capacity diverges to infinity at the critical point while the Gibbs free energy, volume, enthalpy, and entropy are continuous at the critical point. In the coexistence of two phases, the boiling temperatures and the enthalpy changes of vaporization are obtained by numerical calculations for 20 substances. The Gibbs free energy indicates a polygonal line; entropy, volume, and enthalpy jump from the liquid to gaseous phase at the boiling point. The heat capacity does not diverge to infinity but shows a finite discrepancy at boiling point. This suggests that a first-order phase transition at the boiling point and a second-order phase transition may occur at the critical point.

  20. Isobaric Tags for Relative and Absolute Quantitation-Based Proteomic Analysis of Patent and Constricted Ductus Arteriosus Tissues Confirms the Systemic Regulation of Ductus Arteriosus Closure.

    PubMed

    Hong, Haifa; Ye, Lincai; Chen, Huiwen; Xia, Yu; Liu, Yue; Liu, Jinfen; Lu, Yanan; Zhang, Haibo

    2015-08-01

    We aimed to evaluate global changes in protein expression associated with patency by undertaking proteomic analysis of human constricted and patent ductus arteriosus (DA). Ten constricted and 10 patent human DAs were excised from infants with ductal-dependent heart disease during surgery. Using isobaric tags for relative and absolute quantitation-based quantitative proteomics, 132 differentially expressed proteins were identified. Of 132 proteins, voltage-gated sodium channel 1.3 (SCN3A), myosin 1d (Myo1d), Rho GTPase activating protein 26 (ARHGAP26), and retinitis pigmentosa 1 (RP1) were selected for validation by Western blot and quantitative real-time polymerase chain reaction analyses. Significant upregulation of SCN3A, Myo1d, and RP1 messenger RNA, and protein levels was observed in the patent DA group (all P ≤ 0.048). ARHGAP26 messenger RNA and protein levels were decreased in patent DA tissue (both P ≤ 0.018). Immunohistochemistry analysis revealed that Myo1d, ARHGAP26, and RP1 were specifically expressed in the subendothelial region of constricted DAs; however, diffuse expression of these proteins was noted in the patent group. Proteomic analysis revealed global changes in the expression of proteins that regulate oxygen sensing, ion channels, smooth muscle cell migration, nervous system, immune system, and metabolism, suggesting a basis for the systemic regulation of DA patency by diverse signaling pathways, which will be confirmed in further studies. PMID:25915513