WorldWideScience

Sample records for classical binary liquid

  1. Supernovae in Binary Systems: An Application of Classical Mechanics.

    Science.gov (United States)

    Mitalas, R.

    1980-01-01

    Presents the supernova explosion in a binary system as an application of classical mechanics. This presentation is intended to illustrate the power of the equivalent one-body problem and provide undergraduate students with a variety of insights into elementary classical mechanics. (HM)

  2. Binary Solid-Liquid Phase Equilibria

    Science.gov (United States)

    Ellison, Herbert R.

    1978-01-01

    Indicates some of the information that may be obtained from a binary solid-liquid phase equilibria experiment and a method to write a computer program that will plot an ideal phase diagram to which the experimental results may be compared. (Author/CP)

  3. Excess compressibility in binary liquid mixtures.

    Science.gov (United States)

    Aliotta, F; Gapiński, J; Pochylski, M; Ponterio, R C; Saija, F; Salvato, G

    2007-06-14

    Brillouin scattering experiments have been carried out on some mixtures of molecular liquids. From the measurement of the hypersonic velocities we have evaluated the adiabatic compressibility as a function of the volume fraction. We show how the quadratic form of the excess compressibility dependence on the solute volume fraction can be derived by simple statistical effects and does not imply any interaction among the components of the system other than excluded volume effects. This idea is supported by the comparison of the experimental results with a well-established prototype model, consisting of a binary mixture of hard spheres with a nonadditive interaction potential. This naive model turns out to be able to produce a very wide spectrum of structural and thermodynamic features depending on values of its parameters. An attempt has made to understand what kind of structural information can be gained through the analysis of the volume fraction dependence of the compressibility.

  4. Liquid-liquid equilibria for binary and ternary polymer solutions with PC-SAFT

    DEFF Research Database (Denmark)

    Lindvig, Thomas; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2004-01-01

    Two algorithms for evaluating liquid-liquid equilibria (LLE) for binary and ternary polymer solutions are presented. The binary algorithm provides the temperature versus concentration cloud-point curve at fixed pressure, whereas the ternary algorithm provides component 1 versus component 2...

  5. Phase equilibrium calculations of ternary liquid mixtures with binary interaction parameters and molecular size parameters determined from molecular dynamics.

    Science.gov (United States)

    Oh, Suk Yung; Bae, Young Chan

    2010-07-15

    The method presented in this paper was developed to predict liquid-liquid equilibria in ternary liquid mixtures by using a combination of a thermodynamic model and molecular dynamics simulations. In general, common classical thermodynamic models have many parameters which are determined by fitting a model with experimental data. This proposed method, however, provides a simple procedure for calculating liquid-liquid equilibria utilizing binary interaction parameters and molecular size parameters determined from molecular dynamics simulations. This method was applied to mixtures containing water, hydrocarbons, alcohols, chlorides, ketones, acids, and other organic liquids over various temperature ranges. The predicted results agree well with the experimental data without the use of adjustable parameters.

  6. Heat capacity singularity of binary liquid mixtures at the liquid-liquid critical point.

    Science.gov (United States)

    Méndez-Castro, Pablo; Troncoso, Jacobo; Peleteiro, José; Romaní, Luis

    2013-10-01

    The critical anomaly of the isobaric molar heat capacity for the liquid-liquid phase transition in binary nonionic mixtures is explained through a theory based on the general assumption that their partition function can be exactly mapped into that of the Ising three-dimensional model. Under this approximation, it is found that the heat capacity singularity is directly linked to molar excess enthalpy. In order to check this prediction and complete the available data for such systems, isobaric molar heat capacity and molar excess enthalpy near the liquid-liquid critical point were experimentally determined for a large set of binary liquid mixtures. Agreement between theory and experimental results-both from literature and from present work-is good for most cases. This fact opens a way for explaining and predicting the heat capacity divergence at the liquid-liquid critical point through basically the same microscopic arguments as for molar excess enthalpy, widely used in the frame of solution thermodynamics.

  7. Solid/liquid interfacial free energies in binary systems

    Science.gov (United States)

    Nason, D.; Tiller, W. A.

    1973-01-01

    Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

  8. Evaporation of Ethanol-Water Binary Mixture Sessile Liquid Marbles.

    Science.gov (United States)

    Ooi, Chin Hong; Bormashenko, Edward; Nguyen, Anh V; Evans, Geoffrey M; Dao, Dzung V; Nguyen, Nam-Trung

    2016-06-21

    Liquid marble is a liquid droplet coated with particles. Recently, the evaporation process of a sessile liquid marble using geometric measurements has attracted great attention from the research community. However, the lack of gravimetric measurement limits further insights into the physical changes of a liquid marble during the evaporation process. Moreover, the evaporation process of a marble containing a liquid binary mixture has not been reported before. The present paper investigates the effective density and the effective surface tension of an evaporating liquid marble that contains aqueous ethanol at relatively low concentrations. The effective density of an evaporating liquid marble is determined from the concurrent measurement of instantaneous mass and volume. Density measurements combined with surface profile fitting provide the effective surface tension of the marble. We found that the density and surface tension of an evaporating marble are significantly affected by the particle coating.

  9. Experimental vapor-liquid equilibria data for binary mixtures of xylene isomers

    Directory of Open Access Journals (Sweden)

    W.L. Rodrigues

    2005-09-01

    Full Text Available Separation of aromatic C8 compounds by distillation is a difficult task due to the low relative volatilities of the compounds and to the high degree of purity required of the final commercial products. For rigorous simulation and optimization of this separation, the use of a model capable of describing vapor-liquid equilibria accurately is necessary. Nevertheless, experimental data are not available for all binaries at atmospheric pressure. Vapor-liquid equilibria data for binary mixtures were isobarically obtained with a modified Fischer cell at 100.65 kPa. The vapor and liquid phase compositions were analyzed with a gas chromatograph. The methodology was initially tested for cyclo-hexane+n-heptane data; results obtained are similar to other data in the literature. Data for xylene binary mixtures were then obtained, and after testing, were considered to be thermodynamically consistent. Experimental data were regressed with Aspen Plus® 10.1 and binary interaction parameters were reported for the most frequently used activity coefficient models and for the classic mixing rules of two cubic equations of state.

  10. Hopping in a supercooled binary Lennard-Jones liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    1998-01-01

    A binary Lennard–Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function...

  11. The occurrence of binary evolution pulsators in classical instability strip of RR Lyrae and Cepheid variables

    Science.gov (United States)

    Karczmarek, P.; Wiktorowicz, G.; Iłkiewicz, K.; Smolec, R.; Stępień, K.; Pietrzyński, G.; Gieren, W.; Belczynski, K.

    2017-04-01

    Single star evolution does not allow extremely low-mass stars to cross the classical instability strip (IS) during the Hubble time. However, within binary evolution framework low-mass stars can appear inside the IS once the mass transfer (MT) is taken into account. Triggered by a discovery of low-mass (0.26 M⊙) RR Lyrae-like variable in a binary system, OGLE-BLG-RRLYR-02792, we investigate the occurrence of similar binary components in the IS, which set up a new class of low-mass pulsators. They are referred to as binary evolution pulsators (BEPs) to underline the interaction between components, which is crucial for substantial mass-loss prior to the IS entrance. We simulate a population of 500 000 metal-rich binaries and report that 28 143 components of binary systems experience severe MT (losing up to 90 per cent of mass), followed by at least one IS crossing in luminosity range of RR Lyrae (RRL) or Cepheid variables. A half of these systems enter the IS before the age of 4 Gyr. BEPs display a variety of physical and orbital parameters, with the most important being the BEP mass in range 0.2-0.8 M⊙, and the orbital period in range 10-2 500 d. Based on the light curve only, BEPs can be misclassified as genuine classical pulsators, and as such they would contaminate genuine RRL and classical Cepheid variables at levels of 0.8 and 5 per cent, respectively. We state that the majority of BEPs will remain undetected and we discuss relevant detection limitations.

  12. Correlation of liquid-liquid equilibria of non-ideal binary systems by NRTL model

    Directory of Open Access Journals (Sweden)

    Grozdanić Nikola D.

    2013-01-01

    Full Text Available Non Random Two Liquid model (NRTL with three different forms of temperature dependant parameters was used to correlate the liquid - liquid equilibrium data for systems of alcohols with alkanes, and alcohols with two ionic liquids: 1-butyl-2,3-dimethylimidazolium tetrafluoroborate ([bmmim][BF4] and 1-butyl-3-ethylimidazolium tetrafluoroborate ([beim][BF4]. Different temperature dependences of NRTL parameters were tested on thirteen literature experimental liquid - liquid equilibrium data for binary systems. [Projekat Ministarstva nauke Republike Srbije, br. 172063

  13. Binary Orbits as the Driver of Gamma-Ray Emission and Mass Ejection in Classical Novae

    Science.gov (United States)

    Chomiuk, Laura; Linford, Justin D.; Yang, Jun; O'Brien, T. J.; Paragi, Zsolt; Mioduszewski, Amy J.; Beswick, R. J.; Cheung, C. C.; Mukai, Koji; Nelson, Thomas

    2014-01-01

    Classical novae are the most common astrophysical thermonuclear explosions, occurring on the surfaces of white dwarf stars accreting gas from companions in binary star systems. Novae typically expel about 10 (sup -4) solar masses of material at velocities exceeding 1,000 kilometers per second.However, the mechanism of mass ejection in novae is poorly understood, and could be dominated by the impulsive flash of thermonuclear energy, prolonged optically thick winds or binary interaction with the nova envelope. Classical novae are now routinely detected at giga-electronvolt gamma-ray wavelengths, suggesting that relativistic particles are accelerated by strong shocks in the ejecta. Here we report high-resolution radio imaging of the gamma-ray-emitting nova V959 Mon. We find that its ejecta were shaped by the motion of the binary system: some gas was expelled rapidly along the poles as a wind from the white dwarf, while denser material drifted out along the equatorial plane, propelled by orbital motion..At the interface between the equatorial and polar regions, we observe synchrotron emission indicative of shocks and relativistic particle acceleration, thereby pinpointing the location of gamma-ray production. Binary shaping of the nova ejecta and associated internal shocks are expected to be widespread among novae, explaining why many novae are gamma-ray emitters.

  14. Ultrasonic study on organic liquid and binary organic liquid mixtures by using Schaaffs' collision factor theory

    Institute of Scientific and Technical Information of China (English)

    Lu Yi-Gang; Dong Yan-Wu

    2006-01-01

    Based on Schaaff's collision factor theory (CFT) in liquids, the equations for nonlinear ultrasonic parameters in both organic liquid and binary organic liquid mixtures are deduced. The nonlinear ultrasonic parameters, including pressure coefficient, temperature coefficients of ultrasonic velocity, and nonlinear acoustic parameter B/A in both organic liquid and binary organic liquid mixtures, are evaluated for comparison with the measured results and data from other sources. The equations show that the coefficient of ultrasonic velocity and nonlinear acoustic parameter B/A are closely related to molecular interactions. These nonlinear ultrasonic parameters reflect some information of internal structure and outside status of the medium or mixtures. From the exponent of repulsive forces of the molecules,several thermodynamic parameters, pressure and temperature of the medium, the nonlinear ultrasonic parameters and ultrasonic nature of the medium can be evaluated. When evaluating and studying nonlinear acoustic parameter B/A of binary organic liquid mixtures, there is no need to know the nonlinear acoustic parameter B/A of the components.Obviously, the equation reveals the connection between the nonlinear ultrasonic nature and internal structure and outside status of the mixtures more directly and distinctly than traditional mixture law for B/A, e.g. Apfel's and Sehgal's laws for liquid binary mixtures.

  15. Evaporation of a binary liquid film by forced convection

    Directory of Open Access Journals (Sweden)

    Nasr Abdelaziz

    2011-01-01

    Full Text Available This paper deals with a numerical analysis of the evaporation of a thin binary liquid film by forced convection inside a channel constituted by two parallel plates. The first plate is externally insulated and wetted by a thin water ethylene glycol film while the second is dry and isothermal. The liquid mixture consists of water (the more volatile component and ethylene glycol while the gas mixture has three components: dry air, water vapour and ethylene-glycol vapour. The set of non linear and coupled equations expressing the conservation of mass, momentum, energy and species in the liquid and gas mixtures is solved numerically using a finite difference method. Results concerns with the effects of inlet ambience conditions and the inlet liquid concentration of ethylene glycol on the distribution of the temperature, concentrations profiles and the axial variation of the evaporation rate of species i.

  16. Accretion and Magnetic Reconnection in the Classical T Tauri Binary DQ Tau

    Science.gov (United States)

    Tofflemire, Benjamin M.; Mathieu, Robert D.; Ardila, David R.; Akeson, Rachel L.; Ciardi, David R.; Johns-Krull, Christopher; Herczeg, Gregory J.; Quijano-Vodniza, Alberto

    2017-01-01

    The theory of binary star formation predicts that close binaries (a archetype for the pulsed accretion theory is the eccentric, short-period, classical T Tauri binary DQ Tau. Low-cadence (∼daily) broadband photometry has shown brightening events near most periastron passages, just as numerical simulations would predict for an eccentric binary. Magnetic reconnection events (flares) during the collision of stellar magnetospheres near periastron could, however, produce the same periodic, broadband behavior when observed at a one-day cadence. To reveal the dominant physical mechanism seen in DQ Tau’s low-cadence observations, we have obtained continuous, moderate-cadence, multiband photometry over 10 orbital periods, supplemented with 27 nights of minute-cadence photometry centered on four separate periastron passages. While both accretion and stellar flares are present, the dominant timescale and morphology of brightening events are characteristic of accretion. On average, the mass accretion rate increases by a factor of five near periastron, in good agreement with recent models. Large variability is observed in the morphology and amplitude of accretion events from orbit to orbit. We argue that this is due to the absence of stable circumstellar disks around each star, compounded by inhomogeneities at the inner edge of the CBD and within the accretion streams themselves. Quasiperiodic apastron accretion events are also observed, which are not predicted by binary accretion theory.

  17. Binary orbits as the driver of gamma-ray emission and mass ejection in classical novae

    CERN Document Server

    Chomiuk, Laura; Yang, Jun; O'Brien, T J; Paragi, Zsolt; Mioduszewski, Amy J; Beswick, R J; Cheung, C C; Mukai, Koji; Nelson, Thomas; Ribeiro, Valerio A R M; Rupen, Michael P; Sokoloski, J L; Weston, Jennifer; Zheng, Yong; Bode, Michael F; Eyres, Stewart; Roy, Nirupam; Taylor, Gregory B

    2014-01-01

    Classical novae are the most common astrophysical thermonuclear explosions, occurring on the surfaces of white dwarf stars accreting gas from companions in binary star systems. Novae typically expel ~10^(-4) solar masses of material at velocities exceeding 1,000 kilometres per second. However, the mechanism of mass ejection in novae is poorly understood, and could be dominated by the impulsive flash of thermonuclear energy, prolonged optically thick winds, or binary interaction with the nova envelope. Classical novae are now routinely detected in gigaelectronvolt gamma-ray wavelengths, suggesting that relativistic particles are accelerated by strong shocks in the ejecta. Here we report high-resolution radio imaging of the gamma-ray-emitting nova V959 Mon. We find that its ejecta were shaped by the motion of the binary system: some gas was expelled rapidly along the poles as a wind from the white dwarf, while denser material drifted out along the equatorial plane, propelled by orbital motion. At the interface ...

  18. Liquid-drop formalism and free-energy surfaces in binary homogeneous nucleation theory

    Energy Technology Data Exchange (ETDEWEB)

    Laaksonen, A. [Department of Applied Physics, University of Kuopio, P.O. Box 1627, 70211 Kuopio (Finland)]|[Department of Physics, P.O. Box 9, 00014 University of Helsinki, Helsinki (Finland); McGraw, R. [Department of Applied Science, Brookhaven National Laboratory, Upton, New York 11973 (United States); Vehkamaeki, H. [Department of Physics, P.O. Box 9, 00014 University of Helsinki, Helsinki (Finland)]|[University College London, Department of Physics and Astronomy, Gower Street, London WC1E 6BT (United Kingdom)

    1999-08-01

    Three different derivations of the classical binary nucleation theory are considered in detail. It is shown that the derivation originally presented by Wilemski [J. Chem. Phys. {bold 80}, 1370 (1984)] is consistent with more extensive derivations [Oxtoby and Kashchiev, J. Chem. Phys. {bold 100}, 7665 (1994)]; Debenedetti, {ital Metastable Liquids: Concepts and Principles} (Princeton University Press, Princeton, 1996) if and only if the assumption is made that the surface of tension of the binary nucleus coincides with the dividing surface specified by the surface condition {summation}n{sub si}v{sub li}=0, where the n{sub si} denote surface excess numbers of molecules of species {ital i}, and the v{close_quote}s are partial molecular volumes. From this condition, it follows that (1) the surface tension is curvature independent and (2) that the nucleus volume is V={summation}n{sub li}v{sub li}={summation}g{sub i}v{sub li}, where the n{sub li} are the numbers of molecules in the uniform liquid phase of the droplet model encompassed by the surface of tension, and the g{sub i} are the total molecular occupation numbers contained by the nucleus. We show, furthermore, that the above surface condition leads to explicit formulas for the surface excess numbers n{sub si} in the nucleus. Computations for the ethanol{endash}water system show that the surface number for water molecules (n{sub s,H{sub 2}O}) causes the negative occupation numbers (g{sub H{sub 2}O}) obtained earlier using the classical nucleation theory. The unphysical behavior produced by the classical theory for surface active systems is thus a direct consequence of the assumption of curvature independence of surface tension. Based on the explicit formulas for n{sub si}, we calculate the full free-energy surfaces for binary nucleation in the revised classical theory and compare these with the free-energy surfaces in the Doyle (unrevised classical) theory. Significant differences in nucleus size and composition

  19. Adsorption at the liquid-vapor surface of a binary liquid mixture

    Science.gov (United States)

    Whitmer, J. K.; Kiselev, S. B.; Law, B. M.

    2005-11-01

    In a binary liquid mixture, the component possessing the lowest surface tension preferentially adsorbs at the liquid-vapor surface. In the past this adsorption behavior has been extensively investigated for critical binary liquid mixtures near the mixture's critical temperature Tc. In this fluctuation-dominated regime the adsorption is described by a universal function of the dimensionless depth z /ξ where ξ is the bulk correlation length. Fewer studies have quantitatively examined adsorption for off-critical mixtures because, in this case, one must carefully account for both the bulk and surface crossover from the fluctuation-dominated regime (close to Tc) to the mean-field dominated regime (far from Tc). In this paper we compare extensive liquid-vapor ellipsometric adsorption measurements for the mixture aniline+cyclohexane at a variety of critical and noncritical compositions with the crossover theory of Kiselev and co-workers [J. Chem. Phys. 112, 3370 (2000)].

  20. Structure and Spectrum of Binary Classic Systems Confined in a Parabolic Trap

    Institute of Scientific and Technical Information of China (English)

    YANG Wen; ZENG Zhi

    2009-01-01

    @@ The static and dynamic properties of the two-dimensional classic system of two-species interacting charged par-ticles in a parabolic trap are studied. The ground state energy and configuration for different kinds of binary systems are obtained by Monte Carlo simulation and Newton optimization. The spectrum and normal modes vectors can be gained by diagonalizing the dynamical matrix of the system. It is found that the total particle number, particle number and mass-to-charge ratio of each species are decisive factors for the system structure and spectrum. The three intrinsic normal modes of single species Coulomb clusters are inherent, concluded from our numerical simulations and analytical results.

  1. Hopping in a supercooled binary Lennard-Jones liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    1998-01-01

    A binary Lennard–Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function....... To examine the dynamics of the system, we consider transitions between the inherent structures (local minima in the potential energy) along the trajectory. We conclude that the plateau in the mean square displacement found at lower temperatures is indeed a result of particles being trapped in local "cages...

  2. Population synthesis of classical low-mass X-ray binaries in the Galactic Bulge

    CERN Document Server

    van Haaften, L M; Voss, R; van der Sluys, M V; Toonen, S

    2015-01-01

    Aims. We model the present-day population of 'classical' low-mass X-ray binaries (LMXBs) with neutron star accretors, which have hydrogen-rich donor stars. Their population is compared with that of hydrogen-deficient LMXBs, known as ultracompact X-ray binaries (UCXBs). We model the observable LMXB population and compare it to observations. Methods. We combine the binary population synthesis code SeBa with detailed LMXB evolutionary tracks to model the size and properties of the present-day LMXB population in the Galactic Bulge. Whether sources are persistent or transient, and what their instantaneous X-ray luminosities are, is predicted using the thermal-viscous disk instability model. Results. We find a population of ~2.1 x 10^3 LMXBs with neutron star accretors. Of these about 15 - 40 are expected to be persistent (depending on model assumptions), with luminosities higher than 10^35 erg s^-1. About 7 - 20 transient sources are expected to be in outburst at any given time. Within a factor of two these number...

  3. Solid-liquid equilibria of binary mixtures of fluorinated ionic liquids.

    Science.gov (United States)

    Teles, Ana Rita R; Correia, Helga; Maximo, Guilherme J; Rebelo, Luís P N; Freire, Mara G; Pereiro, Ana B; Coutinho, João A P

    2016-09-28

    Within ionic liquids, fluorinated ionic liquids (FILs) present unique physico-chemical properties and potential applications in several fields. However, the melting point of these neoteric compounds is usually higher due to the presence of fluorine atoms. This drawback may be resolved by, for instance, mixing different FILs to create eutectic mixtures. In this work, binary mixtures of fluoro-containing and fluorinated ionic liquids were considered with the aim of decreasing their melting temperatures as well as understanding and characterizing these mixtures and their phase transitions. Five FILs were selected, allowing the investigation of four binary mixtures, each of them with a common ion. Their solid-liquid and solid-solid equilibria were studied by differential scanning calorimetry and the non-ideality of the mixtures was investigated. Overall, a variety of solid-liquid equilibria with systems exhibiting eutectic behavior, polymorphs with solid-solid phase transitions, and the formation of intermediate compounds and solid solutions were surprisingly found. In addition to these intriguing behaviours, novel FILs with lower melting temperatures were obtained by the formation of binary systems, thus enlarging the application range of FILs at lower temperatures.

  4. Classical Spin Liquid on the Maximally Frustrated Honeycomb Lattice

    Science.gov (United States)

    Rehn, J.; Sen, Arnab; Damle, Kedar; Moessner, R.

    2016-10-01

    We show that the honeycomb Heisenberg antiferromagnet with J1/2 =J2=J3, where J1 , J2 , and J3 are first-, second-, and third-neighbor couplings, respectively, forms a classical spin liquid with pinch-point singularities in the structure factor at the Brillouin zone corners. Upon dilution with nonmagnetic ions, fractionalized degrees of freedom carrying 1 /3 of the free moment emerge. Their effective description in the limit of low temperature is that of spins randomly located on a triangular lattice, with a frustrated sublattice-sensitive interaction of long-ranged logarithmic form. The X Y version of this magnet exhibits nematic thermal order by disorder. This comes with a clear experimental diagnostic in neutron scattering, which turns out to apply also to the case of the celebrated planar order by disorder of the kagome Heisenberg antiferromagnet.

  5. MODELING VAPOR LIQUID EQUILIBRIUM OF IONIC LIQUIDS plus GAS BINARY SYSTEMS AT HIGH PRESSURE WITH CUBIC EQUATIONS OF STATE

    OpenAIRE

    Freitas, ACD; Cunico, LP; M. Aznar; Guirardello,R.

    2013-01-01

    Ionic liquids (IL) have been described as novel environmentally benign solvents because of their remarkable characteristics. Numerous applications of these solvents continue to grow at an exponential rate. In this work, high pressure vapor liquid equilibria for 17 different IL + gas binary systems were modeled at different temperatures with Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) equations of state, combined with the van der Waals mixing rule with two binary interaction parameters (v...

  6. Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture

    Energy Technology Data Exchange (ETDEWEB)

    Martínez-Ruiz, F. J.; Blas, F. J., E-mail: felipe@uhu.es [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Física Aplicada, Universidad de Huelva, 21007 Huelva (Spain); Moreno-Ventas Bravo, A. I. [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Geología, Universidad de Huelva, 21007 Huelva (Spain)

    2015-09-14

    We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ{sub 11} = σ{sub 22}, with the same dispersive energy between like species, ϵ{sub 11} = ϵ{sub 22}, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances r{sub c} and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance r{sub c} is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related

  7. Population synthesis of classical low-mass X-ray binaries in the Galactic Bulge

    Science.gov (United States)

    van Haaften, L. M.; Nelemans, G.; Voss, R.; van der Sluys, M. V.; Toonen, S.

    2015-07-01

    Aims: We model the present-day population of classical low-mass X-ray binaries (LMXBs) with neutron star accretors, which have hydrogen-rich donor stars. Their population is compared with that of hydrogen-deficient LMXBs, known as ultracompact X-ray binaries (UCXBs). We model the observable LMXB population and compare it to observations. We model the Galactic Bulge because it contains a well-observed population and it is the target of the Galactic Bulge Survey. Methods: We combine the binary population synthesis code SeBa with detailed LMXB evolutionary tracks to model the size and properties of the present-day LMXB population in the Galactic Bulge. Whether sources are persistent or transient, and what their instantaneous X-ray luminosities are, is predicted using the thermal-viscous disk instability model. Results: We find a population of ~2.1 × 103 LMXBs with neutron star accretors. Of these about 15-40 are expected to be persistent (depending on model assumptions), with luminosities higher than 1035 erg s-1. About 7-20 transient sources are expected to be in outburst at any given time. Within a factor of two these numbers are consistent with the observed population of bright LMXBs in the Bulge. This gives credence to our prediction of the existence of a population of ~1.6 × 103 LMXBs with low donor masses that have gone through the period minimum, and have present-day mass transfer rates below 10-11 M⊙ yr-1. Conclusions: Even though the observed population of hydrogen-rich LMXBs in the Bulge is larger than the observed population of (hydrogen-deficient) UCXBs, the latter have a higher formation rate. While UCXBs may dominate the total LMXB population at the present time, the majority would be very faint or may have become detached and produced millisecond radio pulsars. In that case UCXBs would contribute significantly more to the formation of millisecond radio pulsars than hydrogen-rich LMXBs.

  8. Computation of the acoustic nonlinearity parameter in organic liquid binary mixtures

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Based on Jacobson's molecular free length theory in liquids and the relationship between the ultrasonic velocity and the molecular free length in organic liquids,the equation of the acoustic nonlinearity parameter in organic liquid binary mixtures is derived.The calculated values from the equation are in good agreement both with those from Apfel's and from Sehgal's mixture laws.

  9. Binary, ternary and quaternary liquid-liquid equilibria in 1-butanol, oleic acid, water and n-heptane mixtures

    NARCIS (Netherlands)

    Winkelman, J. G. M.; Kraai, G. N.; Heeres, H. J.

    2009-01-01

    This work reports on liquid-liquid equilibria in the system 1-butanol, oleic acid, water and n-heptane used for biphasic, lipase catalysed esterifications. The literature was studied on the mutual solubility in binary systems of water and each of the organic components. Experimental results were obt

  10. Evaporation dynamics and Marangoni number estimation for sessile picoliter liquid drop of binary mixture solution

    Directory of Open Access Journals (Sweden)

    Lebedev-Stepanov Peter

    2016-01-01

    Full Text Available We propose the evaporation model of picoliter sessile drop of binary solvent mixture (with infinitely soluble in each other components based on Hu and Larson solution for single solvent sessile drop and Raoult law for saturated vapor density of components of binary mixture in wide range of undimensional molar binary concentration of the components. Concentration Marangoni number estimation for such a system is also considered for prediction of liquid flows structure for further applications in dissipative particle dynamics in binary mixture evaporating drop.

  11. Isobaric Vapor—Liquid Equilibrium for Methyldichlorosilane+Methylvinyldichlorosilane+Toluene and Constituent Binary Systems

    Institute of Scientific and Technical Information of China (English)

    邱祖民; 孙Wei; 余淑娴; 余祖兵

    2003-01-01

    Vapor-liquid euilibrium (VLE) for a ternary system of Methyldichlorosilane+methylvinyldichlorosilane+toluene and constituent binary systems were measured at 101.3kPa using a new type of magnetical pump-ebulliometer,The equilibrium conpositions of the vapor phase of binary systems were calculated indirectly from the total pressure-temperature-liquid composition(pTx).The experimental data were correlated with the Wilson and NRTL(non-random two liquid )equations.The parameters of the Wilson moldel were employed to predict the ternary VLE data .The calculated boiling points were in good agreement with the experimental ones.

  12. The 2D Alternative Binary L—J System:Solid—Liquid Phase Diagram

    Institute of Scientific and Technical Information of China (English)

    ZHANGZhi; CHENLi-Rong

    2002-01-01

    The Lennard-Jones potential is introduced into the Collins model and is generalized to the two-dimensional alternative binary system.The Gibbs free energy of the binary system is calculated.According to the thermodynamic conditions of solid-liquid equilibrium,the “cigar-type ” phase diagram and the phase diagram with a minimum are obtained.The results are quite analogous to the behavior of three-dimensional substances.

  13. The 2D Alternative Binary L-J System: Solid-Liquid Phase Diagram

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhi; CHEN Li-Rong

    2002-01-01

    The Lennard-Jones potential is introduced into the Collins model and is generalized to the two-dimensionalalternative binary system. The Gibbs free energy of the binary system is calculated. According to the thermodynamicconditions of solid-liquid equilibrium, the "cigar-type" phase diagram and the phase diagram with a minimum areobtained. The results are quite analogous to the behavior of three-dimensional substances.

  14. Intermolecular forces in acetonitrile + ethanol binary liquid mixtures

    Science.gov (United States)

    Elangovan, A.; Shanmugam, R.; Arivazhagan, G.; Mahendraprabu, A.; Karthick, N. K.

    2015-10-01

    FTIR spectral measurements have been carried out on the binary mixtures of acetonitrile with ethanol at 1:0 (acetonitrile:ethanol), 1:1, 1:2, 1:3 and 0:1 at room temperature. DFT and isosurface calculations have been performed. The acetonitrile + ethanol binary mixtures consist of 1:1, 1:2, 1:3 and 1:4 complexes formed through both the red and blue shifting H-bonds. Inter as well as intra molecular forces are found to exist in 1:3 and 1:4 complexes.

  15. The two-dimensional alternative binary L-J system: liquid-gas phase diagram

    Institute of Scientific and Technical Information of China (English)

    张陟; 陈立溁

    2003-01-01

    A two-dimensional (2D) binary system without considering the Lennard-Jones (L-J) potential has been studied by using the Collins model. In this paper, we introduce the L-J potential into the 2D binary system and consider the existence of the holes that are called the "molecular fraction". The liquid-gas phase diagram of the 2D alternative binary L-J system is obtained. The results are quite analogous to the behaviour of 3D substances.

  16. Electrical Resistivity of Na-K Binary Liquid Alloy Using Ab-Initio Pseudopotentials

    Institute of Scientific and Technical Information of China (English)

    Anil Thakur; P. K. Ahluwalia

    2005-01-01

    @@ The study of electrical resistivity of simple binary liquid alloy Na-K is presented as a function of concentration.Hard sphere diameters of sodium (Na) and potassium (K) are obtained through the inter ionic pair potentials evaluated using Troullier and Martins ab-initio pseudopotentials, which have been used to calculate partial structure factors S(q). The Ziman formula for calculating resistivity of binary liquid alloys has been used. Form factors are calculated using ab-initio pseudopotentials. The results suggest that the first principle approach for calculating pseudopotentials with in the frame work of Ziman formalism is quite successful in explaining the electrical resistivity data of compound forming binary liquid alloys.

  17. Correlation between liquid structure and glass forming ability in glassy Ag-based binary alloys

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The atomic structures of liquid Ag-based binary alloys have been investigated in the solidification process by means of X-ray diffraction. The results of liquid structure show that there is a break point in the mean nearest neighbor distance r1 and the coordination number Nmin for glass-forming liquid, while the correlation radius rc and the coordination number Nmin display a monotone variational trend above the break point. It means glass-forming liquids have a steady changing in structure above liquidus and more inhomogeneous state at liquidus. We conclude that there is a strong correlation between liquid structure and glass forming ability in Ag-based binary alloys.

  18. Hydrogenation of Liquid Styrene by Alumina Supported Nickel Catalysts: Comparison between Classical and Non-Classical Methods

    Science.gov (United States)

    Tan, Y. C.; Abu Bakar, N. H. H.; Tan, W. L.; Abu Bakar, M.

    2016-06-01

    Almina supported Ni catalysts (Ni/Al2O3) with different Ni weight percentages (wt%) were prepared via classical and non-classical methods. All samples were prepared via impregnation technique. The samples prepared via non-classical methods were reduced using KBH4 as the reducing agent. The catalysts were tested for the hydrogenation of styrene in liquid phase. Optimum activation conditions for the hydrogenation reaction were found to be 633 K for 2 hours. Comparison of the catalytic reactivity for all catalysts at these activation conditions showed that catalysts prepared via classical methods exhibited better activity. Furthermore the 7.6wt% Ni-Al2O3/C showed enhanced activity when compared to the 5.9wt% and 13.8wt% Ni-Al2O3/C catalyst. This phenomenon is mainly attributed to the type of Ni active sites available on the catalyst. The surface properties of the catalysts investigated via H2- temperature programmed reduction (H2-TPR), H2-chemisorption and H2-temperature programmed desorption (H2-TPD) confirm this.

  19. Energy of formation for AgIn liquid binary alloys along the line of phase separation

    CERN Document Server

    Bhuiyan, G M; Ziauddin-Ahmed, A Z

    2003-01-01

    We have investigated the energy of formation for AgIn liquid binary alloys along the solid-liquid phase separation line. A microscopic theory based on the first order perturbation has been applied. The interionic interaction and a reference liquid are the fundamental components of the theory. These are described by a local pseudopotential and the hard sphere liquids, respectively. The results of calculations reveal a characteristic feature that the energy of formation becomes minimum at the equiatomic composition, and thus indicates maximal mix-ability at this concentration. The energy of formation at a particular thermodynamic state that is at T 1173 K predicts the experimental trends fairly well.

  20. Estimation of Thermodynamic Properties of Binary Liquid Mixtures on the Basis of Statistical Mechanical Theories

    Directory of Open Access Journals (Sweden)

    J. D. Pandey

    2012-12-01

    Full Text Available Thermodynamic properties of liquids and liquid mixtures play very important role in understanding the nature of molecular interactions occurring in the system. In the present work different thermodynamic properties of 15 pure liquids and 34 equimolar binary liquid mixtures of benzene, toluene, p-xylene, chlorobenzene and 1-chloronaphthalene with linear and branched alkanes have been computed with the help of Flory’s statistical theory (FST, Hard sphere equation of state (HSE and Hole theory (HT simultaneously. The calculated values are compared with the experimental findings collected from literature and quite satisfactory results are obtained.

  1. Binary Solid-Liquid Phase Diagram of Phenol and t-Butanol: An Undergraduate Physical Chemistry Experiment

    Science.gov (United States)

    Xu, Xinhua; Wang, Xiaogang; Wu, Meifen

    2014-01-01

    The determination of the solid-liquid phase diagram of a binary system is always used as an experiment in the undergraduate physical chemistry laboratory courses. However, most phase diagrams investigated in the lab are simple eutectic ones, despite the fact that complex binary solid-liquid phase diagrams are more common. In this article, the…

  2. Binary Solid-Liquid Phase Diagram of Phenol and t-Butanol: An Undergraduate Physical Chemistry Experiment

    Science.gov (United States)

    Xu, Xinhua; Wang, Xiaogang; Wu, Meifen

    2014-01-01

    The determination of the solid-liquid phase diagram of a binary system is always used as an experiment in the undergraduate physical chemistry laboratory courses. However, most phase diagrams investigated in the lab are simple eutectic ones, despite the fact that complex binary solid-liquid phase diagrams are more common. In this article, the…

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

    Energy Technology Data Exchange (ETDEWEB)

    Blanco, B.; Beltran, S.; Cabezas, J.L. (University Coll., Burgos (Spain). Dept. of Chemical Engineering); Coca, J. (Univ. of Oviedo (Spain). 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.

  4. Non-linearity parameter / of binary liquid mixtures at elevated pressures

    Indian Academy of Sciences (India)

    J D Pandey; J Chhabra; R Dey; V Sanguri; R Verma

    2000-09-01

    When sound waves of high amplitude propagate, several non-linear effects occur. Ultrasonic studies in liquid mixtures provide valuable information about structure and interaction in such systems. The present investigation comprises of theoretical evaluation of the acoustic non-linearity parameter / of four binary liquid mixtures using Tong and Dong equation at high pressures and = 303.15 K. Thermodynamic method has also been used to calculate the non-linearity parameter after making certain approximations.

  5. The low-mass classic Algol-type binary UU Leo revisited

    Science.gov (United States)

    Yang, Yuan-Gui

    2013-12-01

    New multi-color photometry of the eclipsing binary UU Leo, acquired from 2010 to 2013, was carried out by using the 60-cm and 85-cm telescopes at the Xinglong station, which is administered by National Astronomical Observatories, Chinese Academy of Sciences. With the updated Wilson-Devinney code, the photometric solution was derived from BVR light curves. The results imply that UU Leo is a semi-detached Algol-type binary, with a mass ratio of q = 0.100(±0.002). The change in orbital period was reanalyzed based on all available eclipsing times. The O - C curve could be described by an upward parabola superimposed on a quasi-sinusoidal curve. The period and semi-amplitudes are Pmod = 54.5(±1.1) yr and A = 0.0273d(±0.0015d), which may be attributed to the light-time effect via the presence of an invisible third body. The long-term period increases at a rate of dP/dt = +4.64(±0.14) × 10-7d yr-1, which may be interpreted by the conserved mass being transferred from the secondary to the primary. With mass being transferred, the low-mass Algol-type binary UU Leo may evolve into a binary system with a main sequence star and a helium white dwarf.

  6. Casimir effects for classical and quantum liquids in slab geometry: A brief review

    Energy Technology Data Exchange (ETDEWEB)

    Biswas, Shyamal, E-mail: sbsp@uohyd.ac.in [School of Physics, University of Hyderabad, C.R. Rao Road, Gachibowli, Hyderabad-500046 (India)

    2015-05-15

    We analytically explore Casimir effects for confinement of classical and quantum fluctuations in slab (film) geometry (i) for classical (critical) fluctuations over {sup 4}He liquid around the λ point, and (ii) for quantum (phonon) fluctuations of Bogoliubov excitations over an interacting Bose-Einstein condensate. We also briefly review Casimir effects for confinement of quantum vacuum fluctuations confined to two plates of different geometries.

  7. PREDICTION OF THE MIXING ENTHALPIES OF BINARY LIQUID ALLOYS BY MOLECULAR INTERACTION VOLUME MODEL

    Institute of Scientific and Technical Information of China (English)

    H.W.Yang; D.P.Tao; Z.H.Zhou

    2008-01-01

    The mixing enthalpies of 23 binary liquid alloys are calculated by molecular interaction volume model (MIVM), which is a two-parameter model with the partial molar infinite dilute mixing enthalpies. The predicted values are in agreement with the experimental data and then indicate that the model is reliable and convenient.

  8. Numerical study of gas–liquid nucleation in partially miscible binary mixtures

    NARCIS (Netherlands)

    Wolde, P.R. ten; Frenkel, D.

    1998-01-01

    We report a numerical study of homogeneous gas–liquid nucleation in a binary mixture. We study the size and the composition of the critical nucleus as a function of the composition and supersaturation of the vapor. As we make the (Lennard-Jones) mixture increasingly nonideal, we find that there is a

  9. Critical mingling and universal correlations in model binary active liquids

    Science.gov (United States)

    Bain, Nicolas; Bartolo, Denis

    2017-06-01

    Ensembles of driven or motile bodies moving along opposite directions are generically reported to self-organize into strongly anisotropic lanes. Here, building on a minimal model of self-propelled bodies targeting opposite directions, we first evidence a critical phase transition between a mingled state and a phase-separated lane state specific to active particles. We then demonstrate that the mingled state displays algebraic structural correlations also found in driven binary mixtures. Finally, constructing a hydrodynamic theory, we single out the physical mechanisms responsible for these universal long-range correlations typical of ensembles of oppositely moving bodies.

  10. Diffusion measurements in binary liquid mixtures by Raman spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Hansen, Susanne Brunsgaard; Shapiro, Alexander

    2007-01-01

    It is shown that Raman spectroscopy allows determination of the molar fractions in mixtures subjected to molecular diffusion. Spectra of three binary systems, benzene/n-hexane, benzene/cyclohexane, and benzene/ acetone, were obtained during vertical (exchange) diffusion at several different heights...... in the literature were found, even in a thermostatically controlled diffusion cell, recording spectra through circulating water. For the system benzene/acetone, the determined diffusion coefficients were in good agreement with the literature data. The limitations of the Raman method are discussed...

  11. DETERMINATION OF DIFFUSION COEFFICIENTS OF BINARY LIQUID SYSTEMS

    Directory of Open Access Journals (Sweden)

    Erol İNCE

    2001-03-01

    Full Text Available The diaphragm cell method technique was used to determine the diffusion coefficients of selected binary systems (Cyclopentanol-Acetic acid, Cyclohexanol-Acetic acid and Methylcyclohexanol-Acetic acid. The technique was chosen because of simplicity and accuracy. The stirring rate was 60 rpm. The diaphragm cell was calibrated at 298.15 K by diffusing of 0.1 N KCl solution into distilled water. The experimental diaphragm cell constant (ß was found 0.09293 cm -2 . The temperature of water bath was controlled by a contact thermometer with an accuracy of ± 0.1 °C. The obtained experimental diffusion coefficients for Cyclopentanol-Acetic acid, Cyclohexanol-Acetic acid and Methylcyclohexanol - Acetic acid binary systems were 2.40 x 10 -5 cm 2 /s, 1.16 x 10 -5 cm 2 /s, 3.97 x 10 -5 cm 2 /s, respectively. Furthermore, diffusion coefficients have been estimated by the theoretical methods of Wilke - Chang and Scheibel equations and compared with the experimental results.

  12. Structural properties of liquid N-methylacetamide via ab initio, path integral, and classical molecular dynamics

    Science.gov (United States)

    Whitfield, T. W.; Crain, J.; Martyna, G. J.

    2006-03-01

    In order to better understand the physical interactions that stabilize protein secondary structure, the neat liquid state of a peptidic fragment, N-methylacetamide (NMA), was studied using computer simulation. Three different descriptions of the molecular liquid were examined: an empirical force field treatment with classical nuclei, an empirical force field treatment with quantum mechanical nuclei, and an ab initio density functional theory (DFT) treatment. The DFT electronic structure was evaluated using the BLYP approximate functional and a plane wave basis set. The different physical effects probed by the three models, such as quantum dispersion, many-body polarization, and nontrivial charge distributions on the liquid properties, were compared. Much of the structural ordering in the liquid is characterized by hydrogen bonded chains of NMA molecules. Modest structural differences are present among the three models of liquid NMA. The average molecular dipole in the liquid under the ab initio treatment, however, is enhanced by 60% over the gas phase value.

  13. Solid–liquid equilibria of binary mixtures of fluorinated ionic liquids†

    Science.gov (United States)

    Teles, Ana Rita R.; Correia, Helga; Maximo, Guilherme J.; Rebelo, Luís P. N.; Freire, Mara G.; Pereiro, Ana B.; Coutinho, João A. P.

    2016-01-01

    Within ionic liquids, fluorinated ionic liquids (FILs) present unique physico-chemical properties and potential applications in several fields. However, the melting point of these neoteric compounds is usually higher due to the presence of fluorine atoms. This drawback may be resolved by, for instance, mixing different FILs to create eutectic mixtures. In this work, binary mixtures of fluoro-containing and fluorinated ionic liquids were considered with the aim of decreasing their melting temperatures as well as understanding and characterizing these mixtures and their phase transitions. Five FILs were selected, allowing the investigation of four binary mixtures, each of them with a common ion. Their solid–liquid and solid–solid equilibria were studied by differential scanning calorimetry and the non-ideality of the mixtures was investigated. Overall, a variety of solid–liquid equilibria with systems exhibiting eutectic behavior, polymorphs with solid–solid phase transitions, and the formation of intermediate compounds and solid solutions were surprisingly found. In addition to these intriguing behaviours, novel FILs with lower melting temperatures were obtained by the formation of binary systems, thus enlarging the application range of FILs at lower temperatures. PMID:27603428

  14. Drag of a growing bubble at rectilinear accelerated ascension in pure liquids and binary solutions

    Directory of Open Access Journals (Sweden)

    Ašković Radomir

    2003-01-01

    Full Text Available The problem of predicting the drag coefficient of a growing bubble at rectilinear accelerated ascension in uniformly super­heated pure liquids and in binary solutions with a non-volatile solute at large Reynolds and Peclet numbers is discussed. In the case of pure liquids, the general solution for the drag coefficient of an accelerated growing bubble from its inception at the critical radius and through the surface-tension-, inertia-, and heat-diffusion-controlled regimes is established, as well as some necessary adaptations in the case of binary solutions with a non-volatile solute. Two particular limiting regimes in the case of pure liquids, inertia-controlled and heat-diffusion-controlled regimes, respectively, are analyzed in details, with satisfactory results. .

  15. Mixing effects in the crystallization of supercooled quantum binary liquids

    Energy Technology Data Exchange (ETDEWEB)

    Kühnel, M.; Kalinin, A. [Institut für Kernphysik, J. W. Goethe-Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); Fernández, J. M.; Tejeda, G.; Moreno, E.; Montero, S. [Laboratory of Molecular Fluid Dynamics, Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid (Spain); Tramonto, F.; Galli, D. E. [Laboratorio di Calcolo Parallelo e di Simulazioni di Materia Condensata, Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Nava, M. [Laboratorio di Calcolo Parallelo e di Simulazioni di Materia Condensata, Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Computational Science, Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, CH-6900 Lugano (Switzerland); Grisenti, R. E. [Institut für Kernphysik, J. W. Goethe-Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); GSI - Helmholtzzentrum für Schwerionenforschung, Planckstr. 1, 64291 Darmstadt (Germany)

    2015-08-14

    By means of Raman spectroscopy of liquid microjets, we have investigated the crystallization process of supercooled quantum liquid mixtures composed of parahydrogen (pH{sub 2}) or orthodeuterium (oD{sub 2}) diluted with small amounts of neon. We show that the introduction of the Ne impurities affects the crystallization kinetics in terms of a significant reduction of the measured pH{sub 2} and oD{sub 2} crystal growth rates, similarly to what found in our previous work on supercooled pH{sub 2}-oD{sub 2} liquid mixtures [Kühnel et al., Phys. Rev. B 89, 180201(R) (2014)]. Our experimental results, in combination with path-integral simulations of the supercooled liquid mixtures, suggest in particular a correlation between the measured growth rates and the ratio of the effective particle sizes originating from quantum delocalization effects. We further show that the crystalline structure of the mixtures is also affected to a large extent by the presence of the Ne impurities, which likely initiate the freezing process through the formation of Ne-rich crystallites.

  16. Modeling vapor liquid equilibrium of ionic liquids + gas binary systems at high pressure with cubic equations of state

    Directory of Open Access Journals (Sweden)

    A. C. D. Freitas

    2013-03-01

    Full Text Available Ionic liquids (IL have been described as novel environmentally benign solvents because of their remarkable characteristics. Numerous applications of these solvents continue to grow at an exponential rate. In this work, high pressure vapor liquid equilibria for 17 different IL + gas binary systems were modeled at different temperatures with Peng-Robinson (PR and Soave-Redlich-Kwong (SRK equations of state, combined with the van der Waals mixing rule with two binary interaction parameters (vdW-2. The experimental data were taken from the literature. The optimum binary interaction parameters were estimated by minimization of an objective function based on the average absolute relative deviation of liquid and vapor phases, using the modified Simplex algorithm. The solubilities of all gases studied in this work decrease as the temperature increases and increase with increasing pressure. The correlated results were highly satisfactory, with average absolute relative deviations of 2.10% and 2.25% for PR-vdW-2 and SRK-vdW-2, respectively.

  17. Kinetics of laser-driven phase separation induced by a tightly focused wave in binary liquid mixtures

    Science.gov (United States)

    Delville, J. P.; Lalaude, C.; Ducasse, A.

    Optical tweezers have recently been used to locally induce liquid-liquid phase separations and to nucleate a single domain inside the trap [H. Masuhara and co-workers, J. Phys. Chem. B 101 (1997) 5900; Langmuir 13 (1997) 414; Bull. Chem. Soc. Japan 69 (1996) 59]. We investigate theoretically these laser-driven transitions in liquid mixtures in a tightly focused wave and analyze their kinetics. After a description of the different quenching processes (electrostriction, thermodiffusion and thermal heating), the droplet growth rate is derived in each case. To illustrate the generality of the purpose, the model is developed for critical binary fluids and the kinetics are discussed in terms of universal behaviors using a comparison with classical uniform quench situations. We also analyze how finite size effects induced by the beam break this dynamic universality. To validate the model, a comparison of the predicted behaviors with recent experimental results is presented. The good agreement illustrates the potentialities of this new application of optical tweezers as micro-physical chemistry tools.

  18. Solid—Liquid Equilibria of Several Binary and Ternary Systems Containing Meleic Anhydride

    Institute of Scientific and Technical Information of China (English)

    MAPeisheng; CHENMingming; 等

    2002-01-01

    Solid-liquid equilibria(SLE) of three binary systems and seven ternary systems containing maleic anhydride(MA) are measured by visual method. The experimental data are compared with the calculated ones with modified universal quasichemical functional group activity coefficient(UNIFAC) method in which the interaction parameters between groups come from two sources,dortmund data bank (DDB), if there′s any,and correlations based on our former presented experimental SLE data of twenty binary systems.New groups of MA,ACCOO group,COO group,>C=O group and cy-CH2 group are defined and the SLE data of maleic anhydride in isopropyl acetate in literature are cited in order to assess the new interaction parameters,correlated with Wilson equation and the λh equation.The modified UNIFAC method with these new regressed interaction parameters is also used to predict other three binary systems containing maleic anhydride.

  19. Raman and ab initio studies of simple and binary 1-alkyl-3-methylimidazolium ionic liquids

    DEFF Research Database (Denmark)

    Berg, R.W.; Deetlefs, M.; Seddon, K.R.

    2005-01-01

    Raman spectra of the ionic liquids, 1-butyl-3-methylimidazolium hexafluorophosphate ([C(4)mim][PF6]), 1-hexyl-3-methylimidazolium chloride ([C(6)mim]Cl), and 1-hexyl-3-methylimidazolium hexafluorophosphate ([C(6)mim][PF6]), and binary mixtures thereof, have been assigned using ab initio MP2...... bonding between the imidazolium headgroup and the anions, and the invariance of the essentially 50:50 mixture of the predominant conformers informs on the nature of glass formation in these systems....

  20. Prediction of vapor-liquid equilibriafor hydrocarbon binary systems by regular solution model

    OpenAIRE

    下山, 裕介; 米澤, 節子; 小渕, 茂寿; 福地, 賢治; 荒井, 康彦; Shimoyama, Yusuke; Yonezawa, Setsuko; Kobuchi, Shigetoshi; Fukuchi, Kenii; Arai, Yasuhiko

    2007-01-01

    Vapor-liquid equilibria (VLE) of hydrocarbon binary systems : hexane + benzene (25 °C), toluene + octane (60°C) and cyclohexane + toluene (50°C) were predicted by using a regular solution model. In the present model, the mixing entropy term (Flory-Huggins equation) is included and an interaction parameter between unlike molecules is introduced. Solubility parameters and molar volumes at each temperature required in calculation are estimated by previously proposed methods. VLE of hexane + benz...

  1. Induced smectic phases in phase diagrams of binary nematic liquid crystal mixtures.

    Science.gov (United States)

    Huang, Tsang-Min; McCreary, Kathleen; Garg, Shila; Kyu, Thein

    2011-03-28

    To elucidate induced smectic A and smectic B phases in binary nematic liquid crystal mixtures, a generalized thermodynamic model has been developed in the framework of a combined Flory-Huggins free energy for isotropic mixing, Maier-Saupe free energy for orientational ordering, McMillan free energy for smectic ordering, Chandrasekhar-Clark free energy for hexagonal ordering, and phase field free energy for crystal solidification. Although nematic constituents have no smectic phase, the complexation between these constituent liquid crystal molecules in their mixture resulted in a more stable ordered phase such as smectic A or B phases. Various phase transitions of crystal-smectic, smectic-nematic, and nematic-isotropic phases have been determined by minimizing the above combined free energies with respect to each order parameter of these mesophases. By changing the strengths of anisotropic interaction and hexagonal interaction parameters, the present model captures the induced smectic A or smectic B phases of the binary nematic mixtures. Of particular importance is the fact that the calculated phase diagrams show remarkable agreement with the experimental phase diagrams of binary nematic liquid crystal mixtures involving induced smectic A or induced smectic B phase.

  2. Liquid-ordered phases induced by cholesterol: a compendium of binary phase diagrams.

    Science.gov (United States)

    Marsh, Derek

    2010-03-01

    Mixtures of phospholipids with cholesterol are able to form liquid-ordered phases that are characterised by short-range orientational order and long-range translational disorder. These L(o)-phases are distinct from the liquid-disordered, fluid L(alpha)-phases and the solid-ordered, gel L(beta)-phases that are assumed by the phospholipids alone. The liquid-ordered phase can produce spatially separated in-plane fluid domains, which, in the form of lipid rafts, are thought to act as platforms for signalling and membrane sorting in cells. The areas of domain formation are defined by the regions of phase coexistence in the phase diagrams for the binary mixtures of lipid with cholesterol. In this paper, the available binary phase diagrams of lipid-cholesterol mixtures are all collected together. It is found that there is not complete agreement between different determinations of the phase diagrams for the same binary mixture. This can be attributed to the indirect methods largely used to establish the phase boundaries. Intercomparison of the various data sets allows critical assessment of which phase boundaries are rigorously established from direct evidence for phase coexistence.

  3. Transport properties of room temperature ionic liquids from classical molecular dynamics

    CERN Document Server

    Andreussi, Oliviero

    2012-01-01

    Room Temperature Ionic Liquids (RTILs) have attracted much of the attention of the scientific community in the past decade due the their novel and highly customizable properties. Nonetheless their high viscosities pose serious limitations to the use of RTILs in practical applications. To elucidate some of the physical aspects behind transport properties of RTILs, extensive classical molecular dynamics (MD) calculations are reported. Bulk viscosities and ionic conductivities of butyl-methyl-imidazole based RTILs are presented over a wide range of temperatures. The dependence of the properties of the liquids on simulation parameters, e.g. system size effects and choice of the interaction potential, is analyzed.

  4. Numerical determination of the interfacial energy and nucleation barrier of curved solid-liquid interfaces in binary systems.

    Science.gov (United States)

    Kundin, Julia; Choudhary, Muhammad Ajmal

    2016-07-01

    The phase-field crystal (PFC) technique is a widely used approach for modeling crystal growth phenomena with atomistic resolution on mesoscopic time scales. We use a two-dimensional PFC model for a binary system based on the work of Elder et al. [Phys. Rev. B 75, 064107 (2007)PRBMDO1098-012110.1103/PhysRevB.75.064107] to study the effect of the curved, diffuse solid-liquid interface on the interfacial energy as well as the nucleation barrier. The calculation of the interfacial energy and the nucleation barrier certainly depends on the proper definition of the solid-liquid dividing surface and the corresponding nucleus size. We define the position of the sharp interface at which the interfacial energy is to be evaluated by using the concept of equimolar dividing surface (r^{e}) and the minimization of the interfacial energy (r^{s}). The comparison of the results based on both radii shows that the difference r^{e}-r^{s} is always positive and has a limit for large cluster sizes which is comparable to the Tolman length. Furthermore, we found the real nucleation barrier for small cluster sizes, which is defined as a function of the radius r^{s}, and compared it with the classical nucleation theory. The simulation results also show that the extracted interfacial energy as function of both radii is independent of system size, and this dependence can be reasonably described by the nonclassical Tolman formula with a positive Tolman length.

  5. Self-assembly of azobenzene bilayer membranes in binary ionic liquid-water nanostructured media.

    Science.gov (United States)

    Kang, Tejwant Singh; Ishiba, Keita; Morikawa, Masa-aki; Kimizuka, Nobuo

    2014-03-11

    Anionic azobenzene-containing amphiphile 1 (sodium 4-[4-(N-methyl-N-dodecylamino)phenylazo]benzenesulfonate) forms ordered bilayer membranes in binary ionic liquid (1-ethyl-3-methylimidazolium ethyl sulfate, [C2mim][C2OSO3])-water mixtures. The binary [C2mim][C2OSO3]-water mixture is macroscopically homogeneous at any mixing ratio; however, it possesses fluctuating nanodomains of [C2mim][C2OSO3] molecules as observed by dynamic light scattering (DLS). These nanodomains show reversible heat-induced mixing behavior with water. Although the amphiphile 1 is substantially insoluble in pure water, it is dispersible in the [C2mim][C2OSO3]-water mixtures. The concentration of [C2mim][C2OSO3] and temperature exert significant influences on the self-assembling characteristics of 1 in the binary media, as shown by DLS, transmission electron microscopy (TEM), UV-vis spectroscopy, and zeta-potential measurements. Bilayer membranes with rod- or dotlike nanostructures were formed at a lower content of [C2mim][C2OSO3] (2-30 v/v %), in which azobenzene chromophores adopt parallel molecular orientation regardless of temperature. In contrast, when the content of [C2mim][C2OSO3] is increased above 60 v/v %, azobenzene bilayers showed thermally reversible gel-to-liquid crystalline phase transition. The self-assembly of azobenzene amphiphiles is tunable depending on the volume fraction of [C2mim][C2OSO3] and temperature, which are associated with the solvation by nanoclusters in the binary [C2mim][C2OSO3]-water media. These observations clearly indicate that mixtures of water-soluble ionic liquids and water provide unique and valiant environments for ordered molecular self-assembly.

  6. Period studies of classical Algol-type binaries II: UX Leo, RW Mon, EQ Ori, XZ UMa and AX Vul

    Science.gov (United States)

    Soydugan, F.; Erdem, A.; Doğru, S. S.; Aliçavuş, F.; Soydugan, E.; Çiçek, C.; Demircan, O.

    2011-07-01

    This study presents an investigation of the orbital period variations of five Algol type binaries, UX Leo, RW Mon, EQ Ori, XZ UMa and AX Vul based on all available minima times. The O- C diagrams of all systems exhibit a periodic variation superimposed on a downward parabolic segment. The mass loss due to magnetic braking effect in the cooler components is assumed to account for the parabolic variation with a downward shape, while it is suggested that the light-time effect (LITE) due to an unseen component around the eclipsing binaries explains the tilted sinusoidal changes in their O- C diagrams. The orbital period decrease rates for the systems are estimated as approximately between about 0.7 and 2.5 s per century. It is clearly seen that mass loss effect is more dominant than the expected mass transfer for classical Algols in this study. The minimum mass of the probable third bodies around the eclipsing pairs was calculated to be ⩽0.5 M ⊙ except for UX Leo, in which it was estimated to be approximately 0.9 M ⊙. In order to search for third lights in the light curves of five systems, the V-light curves of the systems were analyzed and their physical and photometric parameters were determined. For UX Leo, a significant third light contribution was determined. We found a very small third light that can be tested using multi-color light curves, for RW Mon, EQ Ori and XZ UMa, while a third light for AX Vul could not be exposed.

  7. Symmetrization of excess Gibbs free energy: A simple model for binary liquid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Castellanos-Suarez, Aly J., E-mail: acastell@ivic.gob.v [Centro de Estudios Interdisciplinarios de la Fisica (CEIF), Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020A (Venezuela, Bolivarian Republic of); Garcia-Sucre, Maximo, E-mail: mgs@ivic.gob.v [Centro de Estudios Interdisciplinarios de la Fisica (CEIF), Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020A (Venezuela, Bolivarian Republic of)

    2011-03-15

    A symmetric expression for the excess Gibbs free energy of liquid binary mixtures is obtained using an appropriate definition for the effective contact fraction. We have identified a mechanism of local segregation as the main cause of the contact fraction variation with the concentration. Starting from this mechanism we develop a simple model for describing binary liquid mixtures. In this model two parameters appear: one adjustable, and the other parameter depending on the first one. Following this procedure we reproduce the experimental data of (liquid + vapor) equilibrium with a degree of accuracy comparable to well-known more elaborated models. The way in which we take into account the effective contacts between molecules allows identifying the compound which may be considered to induce one of the following processes: segregation, anti-segregation and dispersion of the components in the liquid mixture. Finally, the simplicity of the model allows one to obtain only one resulting interaction energy parameter, which makes easier the physical interpretation of the results.

  8. Improving enzymatic production of diglycerides by engineering binary ionic liquid medium system.

    Science.gov (United States)

    Guo, Zheng; Kahveci, Derya; Ozçelik, Beraat; Xu, Xuebing

    2009-10-01

    The tunable property of ionic liquids (ILs) offers tremendous opportunity to rethink the strategy of current efforts to resolve technical challenges that occurred in many production approaches. To establish an efficient glycerolysis approach for enzymatic production of diglycerides (DG), this work reported a novel concept to improve DG yield by applying a binary IL system that consisted of one IL with better DG production selectivity and another IL being able to achieve higher conversion of triglycerides (TG). The candidates for combination were determined by individually examining lipase-catalyzed glycerolysis in different ILs, as a result, promising ones are divided into two groups based on their reaction specificities. The effects of parametric variables were then preliminarily evaluated, following a further investigation of the reaction performance in different binary IL systems from cross-group combinations. The combination of TOMA.Tf(2)N/Ammoeng 102 was employed for optimization by Response Surface Methodology. Eighty to eighty-five percent (mol%) of oil conversion and up to 90% (mol%) of total DG yield (73%, wt%) were obtained, which are markedly higher than those previously reported. This work demonstrated the practical feasibility to couple the technical advantage (high TG conversion and high DG production selective in this work) of individual ILs into a binary system to over-perform the reaction. It is believed that binary IL system could be also applicable to other enzymatic reaction systems for establishment of more efficient reaction protocols.

  9. Investigation on Thermal and Optical Properties of Hydrogen-Bonded Binary Liquid Crystals

    Science.gov (United States)

    Ranjeeth kumar, T.; Sundaram, S.; Vasanthi, T.; Subhasri, P.; Chitravel, T.; Senthil, T. S.; Jayaprakasam, R.; Vijayakumar, V. N.

    2016-12-01

    A homologous series of hydrogen-bonded liquid crystals (HBLCs) are synthesized and characterized. Intermolecular hydrogen bonding occurs between 4-methoxycinnamic acid (4MCA) and p-n-alkyloxy benzoic acids (nOBA, where n = 3, 7 to 12). These binary complexes have been obtained by following well-designed synthesis route. The subsequent binary complexes have been characterized by polarizing optical thermal microscopy (POM), differential scanning calorimetry (DSC), and Fourier transform infrared spectroscopy (FTIR). The present work explains the details of the association between the mesogenic phase behavior and H-bonding in the homologous series of 4MCA + nOBA. Nematic phase is interrelated with the closed dimers between acid molecules through the formation of strong hydrogen bonds. But, high concentrations are linked to the manifestation of smectic phases that disturb the local order of the nematic phase. As a result, the higher-order mesophases are observed in the present binary complex series. The inclusion of nematic LC (4MCA) in the nOBA alters the melting temperature and the clearing temperature as lower than those of the individual. Also, the wide mesophase regions of the present series are identified compared to those of the constituent mesogens. The optical tilt angle of binary mixtures for smectic C phase and thermal stability factors of the mesogenic phases have been discussed.

  10. Experiments and Direct Numerical Simulations of binary collisions of miscible liquid droplets with different viscosities

    CERN Document Server

    Focke, C; Kuschel, M; Sommerfeld, M

    2012-01-01

    Binary droplet collisions are of importance in a variety of practical applications comprising dispersed two-phase flows. The background of our research is the prediction of properties of particulate products formed in spray processes. To gain a more thorough understanding of the elementary sub-processes inside a spray, experiments and direct numerical simulations of binary droplet collisions are used. The aim of these investigations is to develop semi-analytical descriptions for the outcome of droplet collisions. Such collision models can then be employed as closure terms for scale-reduced simulations. In the present work we focus on the collision of droplets of different liquids. These kinds of collisions take place in every spray drying process when droplets with different solids contents collide in recirculation zones. A new experimental method has been developed allowing for high spatial and time resolved recordings via Laser-induced fluorescence. The results obtained with the proposed method will be comp...

  11. Volumetric properties of binary mixtures of benzene with cyano-based ionic liquids

    Science.gov (United States)

    Gonfa, Girma; Bustam, Mohamad Azmi; Moniruzzaman, Muhammad; Murugesan, Thanabalan

    2014-10-01

    The objective of this study is to investigate the volumetric properties of the binary mixtures comprised benzene and two ionic liquids, 1-butyl-3-methylimidazolium thiocyanate ([BMIM][SCN]) and 1-butyl-3-methyl- imidazolium dicyanamide ([ BMIM ][ N ( CN )2]( . Densities (ρ) and viscosities (μ) of the binary mixtures were measured over a temperature range of 293.15 to 323.15 K and at atmospheric pressure. Excess molar volumes and viscosity deviations were calculated from the experimental densities and viscosities values. The volumetric properties of the mixtures were changed significantly with the change of compositions and temperatures. It was also found that the value of excess molar volume and viscosity deviations were negative (-ve) over the entire range of compositions. The results have been interpreted in terms of molecular interactions of ILs and benzene.

  12. Liquid-liquid equilibria for binary and ternary systems containing glycols, aromatic hydrocarbons, and water: Experimental measurements and modeling with the CPA EoS

    DEFF Research Database (Denmark)

    Folas, Georgios; Kontogeorgis, Georgios; Michelsen, Michael Locht;

    2006-01-01

    Liquid-liquid equilibrium data of four binary glycol + aromatic hydrocarbon systems and three ternary systems containing water have been measured at atmospheric pressure. The measured systems are monoethylene glycol (MEG) + benzene or toluene, triethylene glycol (TEG) + benzene or toluene, MEG + ...

  13. Measurement and Correlation of Vapor-Liquid Equilibrium for Binary System 1,2-Epoxycyclohexane+1,2-Dichloroethane

    Institute of Scientific and Technical Information of China (English)

    周彩荣; 王海峰; 石晓华; 蒋登高

    2013-01-01

    Vapor-liquid equilibrium data (T, x, y) of binary system 1,2-epoxycyclohexane+1,2-dichloroethane were determined experimentally by using a modified ROSE-Williams equilibrium vaporization system at 101.33 kPa. The results show that this binary system does not have azeotropic point. The vapor-liquid equilibrium data are in thermodynamic consistency. The binary interaction parameters in the Wilson equation are presented with the correlation of vapor-liquid equilibrium data. The measurements of liquid phase composition and bubble point tem-perature are well represented by the Wilson equation. Values of vapor molecular fractions and activity coefficients from the Wilson equation are presented. This work provides important engineering data for the separation of 1,2-dichloroethane and 1,2-epoxycyclohexane .

  14. Nucleate Pool Boiling of Pure Liquids and Binary Mixtures:part II—Analytical Model for Boiling Heat Transfer of Binary Mixtures on Smooth Tubes and Comparison of Analytical Models for both Pure Liqu

    Institute of Scientific and Technical Information of China (English)

    GuoqingWang; YingkeTan

    1996-01-01

    A combined physical model of bubbel growth is propsed along with a corresponding bubble growth model for binary mixtures on smooth tubes.Using the general model of Wang et al.[1].and the bubble growth model for binary mixtures,an analytical model for nucleate pool boiling heat transfer of binary mixtures on smooth tubes is developed.In addition,nucleate pool boiling heat transfer of pure liquids and binary mixtrues on a horizontal smooth tube was studied experimentally.The pure liquids and binary mixtures included water methanol,ehanol,and their binary mixtures.The analytical models for both pure liquids and binary mixtures are in good agreement with the experimental data.

  15. A surprisingly simple correlation between the classical and quantum structural networks in liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Hamm, Peter; Fanourgakis, George S.; Xantheas, Sotiris S.

    2017-08-14

    Nuclear quantum effects in liquid water have profound implications for several of its macroscopic properties related to structure, dynamics, spectroscopy and transport. Although several of water’s macroscopic properties can be reproduced by classical descriptions of the nuclei using potentials effectively parameterized for a narrow range of its phase diagram, a proper account of the nuclear quantum effects is required in order to ensure that the underlying molecular interactions are transferable across a wide temperature range covering different regions of that diagram. When performing an analysis of the hydrogen bonded structural networks in liquid water resulting from the classical (class.) and quantum (q.m.) descriptions of the nuclei with the transferable, flexible, polarizable TTM3-F interaction potential, we found that the two results can be superimposed over the temperature range of T=270-350 K using a surprisingly simple, linear scaling of the two temperatures according to T(q.m.)=aT(class)- T , where a=1.2 and T=51 K. The linear scaling and constant shift of the temperature scale can be considered as a generalization of the previously reported temperature shifts (corresponding to structural changes and the melting T) induced by quantum effects in liquid water.

  16. Raman and ab initio studies of simple and binary 1-alkyl-3-methylimidazolium ionic liquids

    DEFF Research Database (Denmark)

    Berg, R.W.; Deetlefs, M.; Seddon, K.R.

    2005-01-01

    Raman spectra of the ionic liquids, 1-butyl-3-methylimidazolium hexafluorophosphate ([C(4)mim][PF6]), 1-hexyl-3-methylimidazolium chloride ([C(6)mim]Cl), and 1-hexyl-3-methylimidazolium hexafluorophosphate ([C(6)mim][PF6]), and binary mixtures thereof, have been assigned using ab initio MP2...... calculations. The previously reported anti and gauche forms of the [C(4)mim](+) cation have been observed, and this study reveals this to be a general feature of the long-chain I-alkyl derivatives. Analysis of mixtures Of [C(6)mim]Cl and [C(6)mim][PF6] has provided information on the nature of the hydrogen...

  17. Atomic transport properties of Ag xSn 1-x liquid binary alloys

    Science.gov (United States)

    Bhuiyan, E. H.; Ziauddin Ahmed, A. Z.; Bhuiyan, G. M.; Shahjahan, M.

    2008-05-01

    Atomic transport properties, in particular the shear viscosity and diffusion constants for Ag xSn 1-x less simple liquid binary alloys are theoretically studied from a statistical mechanical theory called the distribution function method. The essential ingredients of this theory are the interionic interaction and the pair distribution function for hard spheres. The interionic interaction are described from a local pseudopotential model and the effective hard sphere diameters are obtained from the thermodynamic perturbative method known as the linearized Weeks-Chandler-Andersen (LWCA). Results of calculations for shear viscosities agree well with the available experimental data.

  18. Study of Molecular Interactions in Binary Liquid Mixtures by Acoustical Method at 303K

    Directory of Open Access Journals (Sweden)

    P. Paul Divakar

    2012-01-01

    Full Text Available Ultrasonic velocity and density measurements were made in two binary liquid mixtures Isopropyl acetate (IPA and Isobutyl acetate (IBA with cyclohexanone (CY as a common component at 303K, at fixed frequency of 2MHz using single crystal variable path interferometer and specific gravity bottle respectively. The experimental data have been used to calculate the acoustic impedance, adiabatic compressibility, inter molecular free length and molar volume. The excess thermodynamic parameters have been evaluated and discussed in the light of molecular interactions.

  19. VISCOSITY OF BINARY NON-ELECTROLYTE LIQUID MIXTURES: PREDICTION AND CORRELATION

    Directory of Open Access Journals (Sweden)

    Mirjana Lj. Kijevčanin

    2008-11-01

    Full Text Available The viscosity of 31 binary liquid mixtures containing diverse groups of organic compounds, determined at atmospheric pressure: alcohols, alkanes (cyclo and aliphatic, esters, aromatics, ketones etc., were calculated using two different approaches, correlative (with Teja-Rice and McAllister models and predictive by group contribution models (UNIFAC-VISCO, ASOG-VISCO and Grunberg-Nissan. The obtained results were analysed in terms of the applied approach and model, the structure of the investigated mixtures, the nature of components of the mixtures and the influence of alkyl chain length of the alcohol molecule.

  20. Molecular Dynamics Simulation for the Binary Mixtures of High Pressure Carbon Dioxide and Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    徐君臣; 王松; 喻文; 徐琴琴; 王伟彬; 银建中

    2014-01-01

    Molecular dynamics simulation with an all-atom force field has been carried out on the two binary sys-tems of [bmim][PF6]-CO2 and [bmim][NO3]-CO2 to study the transport properties, volume expansion and micro-structures. It was found that addition of CO2 in the liquid phase can greatly decrease the viscosity of ionic liquids (ILs) and increase their diffusion coefficient obviously. Furthermore, the volume expansion of ionic liquids was found to increase with the increase of the mole fraction of CO2 in the liquid phase but less than 35%for the two simulated systems, which had a significant difference with CO2 expanded organic solvents. The main reason was that there were some void spaces inter and intra the molecules of ionic liquids. Finally, site to site radial distribution functions and corresponding number integrals were investigated and it was found that the change of microstructures of ILs by addition CO2 had a great influence on the properties of ILs.

  1. Density functional theory of gas-liquid phase separation in dilute binary mixtures.

    Science.gov (United States)

    Okamoto, Ryuichi; Onuki, Akira

    2016-06-22

    We examine statics and dynamics of phase-separated states of dilute binary mixtures using density functional theory. In our systems, the difference of the solvation chemical potential between liquid and gas [Formula: see text] (the Gibbs energy of transfer) is considerably larger than the thermal energy [Formula: see text] for each solute particle and the attractive interaction among the solute particles is weaker than that among the solvent particles. In these conditions, the saturated vapor pressure increases by [Formula: see text], where [Formula: see text] is the solute density added in liquid. For [Formula: see text], phase separation is induced at low solute densities in liquid and the new phase remains in gaseous states, even when the liquid pressure is outside the coexistence curve of the solvent. This explains the widely observed formation of stable nanobubbles in ambient water with a dissolved gas. We calculate the density and stress profiles across planar and spherical interfaces, where the surface tension decreases with increasing interfacial solute adsorption. We realize stable solute-rich bubbles with radius about 30 nm, which minimize the free energy functional. We then study dynamics around such a bubble after a decompression of the surrounding liquid, where the bubble undergoes a damped oscillation. In addition, we present some exact and approximate expressions for the surface tension and the interfacial stress tensor.

  2. Thermodynamic properties of binary liquid mixtures of diethylenetriamine with alcohols at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Dubey, Gyan Prakash, E-mail: gyan.dubey@rediffmail.com [Department of Chemistry, Kurukshetra University, Kurukshetra 136119 (India); Kumar, Krishan [Department of Chemistry, Kurukshetra University, Kurukshetra 136119 (India)

    2011-09-20

    Highlights: {yields} Thermodynamic study of diethylenetriamine + 2-methyl-1-propanol, +2-propanol or +1-butanol have been made. {yields} Excess molar volumes and isentropic compressibility were determined. {yields} Types of interactions were discussed based on derived properties. - Abstract: Densities, {rho}, viscosities, {eta}, and speeds of sound, u, were measured for the binary liquid mixtures containing diethylenetriamine with 2-methyl-1-propanol, 2-propanol and 1-butanol at 293.15, 298.15, 303.15, 308.15 and 313.15 K. From density and speed of sound data, excess molar volumes, V{sub m}{sup E} and deviations in isentropic compressibility, {Delta}{kappa}{sub s}, and speed of sound, {Delta}u have been evaluated. Viscosity data were used to compute deviations in viscosity and excess Gibbs energy of activation of viscous flow {Delta}G*{sup E} at 298.15, 303.15 and 308.15 K. A Redlich-Kister type equation was applied to fit the excess molar volumes and deviations in isentropic compressibility, speed of sound and viscosity data. The viscosity data have been correlated with the equations of Grunberg-Nissan, Tamura-Kurata, Heric-Brewer and of Hind et al. All the binary systems of the present study have negative values of excess molar volumes and deviations in isentropic compressibility over whole composition range and at all temperatures which indicates strong interactions between the components of binary mixtures.

  3. Binary mixtures of hydrogen-bonded ferroelectric liquid crystals. Thermal span enhancement in smectic X* phase

    Energy Technology Data Exchange (ETDEWEB)

    Sangameswari, Gopal; Prabu, Nataraj Pongali Sathya; Madhu Mohan, Mathukumalli Lakshmi Narayana [Bannari Amman Institute of Technology, Sathyamangalam (India). Liquid Crystal Research Laboratory (LCRL)

    2015-07-01

    Thermotropic hydrogen-bonded ferroelectric binary liquid crystal mixtures comprising of N-carbamyl-l-glutamic acid (CGA) and p-n-alkyloxy benzoic acids (BAO) are investigated. Variation in the molar proportion of X and Y (where X=CGA+5BAO and Y=CGA+9BAO, CGA+10BAO, CGA+11BAO, and CGA+12BAO) comprising of four series yielded 36 binary mixtures. Optical and thermal properties of these mixtures are meticulously studied in the present article. In addition to the traditional phases, a novel smectic ordering namely smectic X* is observed in all the four series. The aim of the investigation is to obtain abundance occurrence of smectic X* with a large thermal span, and hence, the proportions of the binary mixtures are so chosen that the prelude task is accomplished. Optical tilt angle in smectic X* and smectic C* phases is experimentally determined, and a theoretical fit is performed. Phase diagrams of the four series are constructed from the data obtained from the differential scanning calorimetry and correlated with the phases recorded by the polarising optical microscope studies. Thermal stability factor and thermal equilibrium are also premeditated.

  4. Transition Temperatures of Thermotropic Liquid Crystals from the Local Binary Gray Level Cooccurrence Matrix

    Directory of Open Access Journals (Sweden)

    S. Sreehari Sastry

    2012-01-01

    Full Text Available This paper presents a method which combines the statistical analysis with texture structural analysis called Local Binary Gray Level Cooccurrence Matrix (LBGLCM to investigate the phase transition temperatures of thermotropic p,n-alkyloxy benzoic acid (nOBA, n=4,6,8,10 and 12 liquid crystals. Textures of the homeotropically aligned liquid crystal compounds are recorded as a function of temperature using polarizing optical microscope attached to the hot stage and high resolution camera. In this method, second-order statistical parameters (contrast, energy, homogeneity, and correlation are extracted from the LBGLCM of the textures. The changes associatedwiththe values of extracted parameters as a function of temperature are a helpful process to identify the phases and phase transition temperatures of the samples. Results obtained from this method have validity and are in good agreement with the literature.

  5. Structure, compressibility factor, and dynamics of highly size-asymmetric binary hard-disk liquids.

    Science.gov (United States)

    Xu, Wen-Sheng; Sun, Zhao-Yan; An, Li-Jia

    2012-09-14

    By using event-driven molecular dynamics simulation, we investigate effects of varying the area fraction of the smaller component on structure, compressibility factor, and dynamics of the highly size-asymmetric binary hard-disk liquids. We find that the static pair correlations of the large disks are only weakly perturbed by adding small disks. The higher-order static correlations of the large disks, by contrast, can be strongly affected. Accordingly, the static correlation length deduced from the bond-orientation correlation functions first decreases significantly and then tends to reach a plateau as the area fraction of the small disks increases. The compressibility factor of the system first decreases and then increases upon increasing the area fraction of the small disks and separating different contributions to it allows to rationalize this non-monotonic phenomenon. Furthermore, adding small disks can influence dynamics of the system in quantitative and qualitative ways. For the large disks, the structural relaxation time increases monotonically with increasing the area fraction of the small disks at low and moderate area fractions of the large disks. In particular, "reentrant" behavior appears at sufficiently high area fractions of the large disks, strongly resembling the reentrant glass transition in short-ranged attractive colloids and the inverted glass transition in binary hard spheres with large size disparity. By tuning the area fraction of the small disks, relaxation process for the small disks shows concave-to-convex crossover and logarithmic decay behavior, as found in other binary mixtures with large size disparity. Moreover, diffusion of both species is suppressed by adding small disks. Long-time diffusion for the small disks shows power-law-like behavior at sufficiently high area fractions of the small disks, which implies precursors of a glass transition for the large disks and a localization transition for the small disks. Therefore, our results

  6. True molecular solutions of natural cellulose in the binary ionic liquid-containing solvent mixtures.

    Science.gov (United States)

    Rein, Dmitry M; Khalfin, Rafail; Szekely, Noemi; Cohen, Yachin

    2014-11-04

    Evidence is presented for the first time of true molecular dissolution of cellulose in binary mixtures of common polar organic solvents with ionic liquid. Cryogenic transmission electron microscopy, small-angle neutron-, X-ray- and static light scattering were used to investigate the structure of cellulose solutions in mixture of dimethyl formamide and 1-ethyl-3-methylimidazolium acetate. Structural information on the dissolved chains (average molecular weight ∼ 5 × 10(4)g/mol; gyration radius ∼ 36 nm, persistence length ∼ 4.5 nm), indicate the absence of significant aggregation of the dissolved chains and the calculated value of the second virial coefficient ∼ 2.45 × 10(-2)mol ml/g(2) indicates that this solvent system is a good solvent for cellulose. More facile dissolution of cellulose could be achieved in solvent mixtures that exhibit the highest electrical conductivity. Highly concentrated cellulose solution in pure ionic liquid (27 wt.%) prepared according to novel method, utilizing the rapid evaporation of a volatile co-solvent in binary solvent mixtures at superheated conditions, shows insignificant cellulose molecular aggregation.

  7. Numerical study of heat and mass transfer during evaporation of a turbulent binary liquid film

    Directory of Open Access Journals (Sweden)

    Khalal Larbi

    2015-01-01

    Full Text Available This paper deals with a computational study for analysing heat and mass exchanges in the evaporation of a turbulent binary liquid film (water-ethanol and water-methanol along a vertical tube. The film is in co-current with the dry air and the tube wall is subjected to a uniform heat flux. The effect of gas-liquid phase coupling, variable thermophysical properties and film vaporization are considered in the analysis. The numerical method applied solves the coupled governing equations together with the boundary and interfacial conditions. The algebraic systems of equations obtained are solved using the Thomas algorithm. The results concern the effects of the inlet liquid Reynolds number and inlet film composition on the intensity of heat and mass transfer. In this study, results obtained show that heat transferred through the latent mode is more pronounced when the concentration of volatile components is higher in the liquid mixture .The comparisons of wall temperature and accumulated mass evaporation rate with the literature results are in good agreement.

  8. Gauge-invariant approach to thermodiffusion in a liquid binary mixture

    Science.gov (United States)

    Bringuier, E.

    2011-06-01

    The paper aims at a molecular understanding of thermodiffusion (the Ludwig-Soret effect) in a liquid binary mixture. To this end, we first review the capabilities of the Maxwell-Stefan description of interdiffusion, which in a liquid rests upon the use of a thermodynamic force. The latter is defined here as a force per particle which generalizes the mechanical force and obeys Newton's third law. Moreover, the force is required to be invariant under changes of the energy and entropy gauges. The gauge-invariant force thus defined is found to account for ordinary diffusion and barodiffusion, but not for thermodiffusion. The force driving thermodiffusion arises from Onsager's reciprocity theorem in non-equilibrium thermodynamics: it is shown to be proportional to the covariance of enthalpy and velocity. In case that intermolecular collisions are elastic, an explicit kinetic expression is given of the force driving thermodiffusion; it involves the interaction cross-section of the two components and the mean-free-path function of the liquid mixture. That expression is equivalent to, but much simpler than, the Chapman-Enskog result in gaseous mixtures, and it qualitatively accounts for observations performed in liquid mixtures. The role of the internal degrees of freedom of the molecules is brought out. Finally, two pragmatic rules for devising models of thermodiffusion are enunciated.

  9. Evaluation of Excess Thermodynamic Parameters in a Binary Liquid Mixture (Cyclohexane + O-Xylene at Different Temperatures

    Directory of Open Access Journals (Sweden)

    K. Narendra

    2010-01-01

    Full Text Available The ultrasonic velocity, density and viscosity in binary liquid mixture cyclohexane with o-xylene have been determined at different temperatures from 303.15 to 318.15 K over the whole composition range. The data have been utilized to estimate the excess adiabatic compressibility (βE, excess volumes (VE, excess intermolecular free length (LfE, excess internal pressure (πE and excess enthalpy (HE at the above temperatures. The excess values have been found to be useful in estimating the strength of the interactions in the liquid mixtures. Analysis of these parameters indicates that there are weak interactions among the components of the binary mixtures.

  10. Solid-Liquid Equilibria for the Binary Mixtures 1,4-Xylene + Ethylbenzene and 1,4-Xylene + Toluene

    DEFF Research Database (Denmark)

    Huyghe, Raphaël; Rasmussen, Peter; Thomsen, Kaj

    2004-01-01

    Solid-liquid equilibrium (SLE) data for the binary mixtures 1,4-xylene + ethylbenzene, and 1,4-xylene + toluene have been measured using differential scanning calorimetry (DSC) in the temperature range from 133.15 K to 293.15 K.......Solid-liquid equilibrium (SLE) data for the binary mixtures 1,4-xylene + ethylbenzene, and 1,4-xylene + toluene have been measured using differential scanning calorimetry (DSC) in the temperature range from 133.15 K to 293.15 K....

  11. Density functional theory of gas-liquid phase separation in dilute binary mixtures

    Science.gov (United States)

    Okamoto, Ryuichi; Onuki, Akira

    2016-06-01

    We examine statics and dynamics of phase-separated states of dilute binary mixtures using density functional theory. In our systems, the difference of the solvation chemical potential between liquid and gas Δ {μ\\text{s}} (the Gibbs energy of transfer) is considerably larger than the thermal energy {{k}\\text{B}}T for each solute particle and the attractive interaction among the solute particles is weaker than that among the solvent particles. In these conditions, the saturated vapor pressure increases by {{k}\\text{B}}Tn2\\ell\\exp ≤ft(Δ {μ\\text{s}}/{{k}\\text{B}}T\\right) , where n2\\ell is the solute density added in liquid. For \\exp ≤ft(Δ {μ\\text{s}}/{{k}\\text{B}}T\\right)\\gg 1 , phase separation is induced at low solute densities in liquid and the new phase remains in gaseous states, even when the liquid pressure is outside the coexistence curve of the solvent. This explains the widely observed formation of stable nanobubbles in ambient water with a dissolved gas. We calculate the density and stress profiles across planar and spherical interfaces, where the surface tension decreases with increasing interfacial solute adsorption. We realize stable solute-rich bubbles with radius about 30 nm, which minimize the free energy functional. We then study dynamics around such a bubble after a decompression of the surrounding liquid, where the bubble undergoes a damped oscillation. In addition, we present some exact and approximate expressions for the surface tension and the interfacial stress tensor.

  12. The solubility of hydrogen in liquid binary Al-Li alloys

    Science.gov (United States)

    Anyalebechi, P. N.; Talbot, D. E. J.; Granger, D. A.

    1988-04-01

    The solubility of hydrogen in liquid binary aluminum alloys with 1, 2, and 3 wt pct lithium has been determined for the temperature range of 913 to 1073 K and pressure 5.3 × 104 to 10.7 × 104 Pa, using an appropriate version of Sieverts’ method. The results fit the Van’t Hoff isobar and Sieverts’ isotherm and the solubility, S, is given by: Al-1 pct Li: log( S/S°) - 1/2 log( P/P°) = -2113/T/k + 2.568 Al-1 pct Li: log( S/S°) - 1/2 log( P/P°) = -2797/T/k + 3.329 Al-1 pct Li: log( S/S°) - 1/2 log( P/P°) = -2889/T/k + 3.508 where S° is a standard value of solubility equal to 1 cm3 of diatomic hydrogen measured at 273 K and 101,325 Pa per 100 g of metal, and P° is a standard pressure equal to 101,325 Pa. Added lithium progressively increases the solubility of hydrogen in liquid aluminum, due more to its effect on the entropy of solution of hydrogen, through its influence on the liquid metal structure than to an increase in the solute hydrogen atom binding enthalpy.

  13. Excess molar volumes and isentropic compressibilities of binary liquid mixtures containing n-alkanes at 298.15 K

    Indian Academy of Sciences (India)

    V Vyas; T Nautiyal

    2002-10-01

    Excess molar volumes (E) and deviation in isentropic compressibilities (s) have been investigated from the density and speed of sound measurements of six binary liquid mixtures containing -alkanes over the entire range of composition at 298.15 K. Excess molar volume exhibits inversion in sign in one binary mixture, i.e., n-heptane + n-hexane. Remaining five binary mixtures, n-heptane + toluene, cyclohexane + n-heptane, cyclohexane + n-hexane, toluene + nhexane and n-decane + n-hexane show negative excess molar volumes over the whole composition range. However, the large negative values of excess molar volume becomes dominant in toluene + n-hexane mixture. Deviation in isentropic compressibility is negative over the whole range of composition in the case of all the six binary mixtures. Existence of specific intermolecular interactions in the mixtures has been analyzed in terms of excess molar volume and deviation in isentropic compressibility.

  14. Optimization method for the study of the properties of Al-Sn binary liquid alloys

    Energy Technology Data Exchange (ETDEWEB)

    Shrestha, G.K. [University Department of Physics, T.M. Bhagalpur University, Bhagalpur (India); Pulchowk Campus, IOE, Tribhuvan University, Lalitpur (Nepal); Singh, B.K. [University Department of Physics, T.M. Bhagalpur University, Bhagalpur (India); Jha, I.S. [M.M.A.M. Campus, Tribhuvan University, Biratnagar (Nepal); Singh, B.P. [University Department of Physics, T.M. Bhagalpur University, Bhagalpur (India); Adhikari, D., E-mail: adksbdev@yahoo.com [M.M.A.M. Campus, Tribhuvan University, Biratnagar (Nepal)

    2017-06-01

    The best fit value of order energy parameter (W) has been estimated over the entire range of concentration in Al-Sn binary liquid alloy at a specified temperature to determine the thermodynamic properties and concentration fluctuations, obtained by a theoretical formalism in which the combined effect of size ratio, entropic and enthalpic effect is considered. The values of W at different temperatures have been determined by finding the temperature derivative of W which are then used for the optimization procedure in order to determine the corresponding values of excess free energy of mixing, partial excess free energy of mixing and activity of the components involved in the alloy. These parameters have been used to calculate the concentration fluctuations in long wavelength limit {S_c_c(0)} at different temperatures over the entire range of concentration which predict the stability of the alloy at different temperatures.

  15. The vapour-liquid equilibria of several binary systems of fluorocarbons and hydrocarbons. Pt. 2

    Energy Technology Data Exchange (ETDEWEB)

    Kramp, S. [Inst. fuer Physikalische Chemie, Univ. Goettingen (Germany); Wagner, H.G. [Inst. fuer Physikalische Chemie, Univ. Goettingen (Germany)

    1995-06-01

    The vapour-liquid equilibria of the binary systems perfluoromethylcyclohexane-pentafluorobenzene, benzene-pentafluorobenzene, benzene-methylperfluorobutanoate and perfluoromethylcyclohexane-methylperfluorobutanoate have been measured at 333.07 K and 343.12 K using a dynamic circulation still of the Sieg-Roeck type. The thermodynamic consistency of the measurements was tested by two different methods. New UNIFAC interaction parameters [1] were calculated for the following groups: ACH-ACF, ACF-CF{sub 2}, CF{sub 2}-COO, ACCH{sub 2}-ACF, ACH-CF{sub 2}. The abbreviations stand for the following increments: ACH = aromatic CH group, ACF = aromatic CF group, CF{sub 2} = aliphatic CF{sub 2} group, COO = ester group and ACCH{sub 2} = side chain CH group. (orig.)

  16. Vapor liquid equilibrium constants through a non-equation of state approach: methane-free aliphatic binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Hsiung, T.H.; Thodos, G.

    1975-06-01

    Northwestern University developed an alternate method to help predict vapor-liquid equilibrium constants without an equation of state by using the fundamental properties associated with the pure-state components and the critical pressure of the mixture. The method consists of developing correlations to help predict K-constants for other aliphatic binary mixtures not containing methane from vapor-liquid equilibrium measurements available in the literature for the 3 binaries of the system ethane-butane-heptane. This approach was tested for 7 other binaries (ethane/n-hexane, propane/i-butane, propane/i-butane, propane/n-pentane, propane/i-pentane, poprane/n-decane, and propylene/i-butane). The K-values obtained displayed good agreement with experimental measurements, especially in the vicinity of the critical point.

  17. Hierarchical opal grating films prepared by slide coating of colloidal dispersions in binary liquid media.

    Science.gov (United States)

    Lee, Wonmok; Kim, Seulgi; Kim, Seulki; Kim, Jin-Ho; Lee, Hyunjung

    2015-02-15

    There are active researches on well ordered opal films due to their possible applications to various photonic devices. A recently developed slide coating method is capable of rapid fabrication of large area opal films from aqueous colloidal dispersion. In the current study, the slide coating of polystyrene colloidal dispersions in water/i-propanol (IPA) binary media is investigated. Under high IPA content in a dispersing medium, resulting opal film showed a deterioration of long range order, as well as a decreased film thickness due to dilution effect. From the binary liquid, the dried opal films exhibited the unprecedented topological groove patterns with varying periodic distances as a function of alcohol contents in the media. The groove patterns were consisted of the hierarchical structures of the terraced opal layers with periodic thickness variations. The origin of the groove patterns was attributed to a shear-induced periodic instability of colloidal concentration within a thin channel during the coating process which was directly converted to a groove patterns in a resulting opal film due to rapid evaporation of liquid. The groove periods of opal films were in the range of 50-500 μm, and the thickness differences between peak and valley of the groove were significantly large enough to be optically distinguishable, such that the coated films can be utilized as the optical grating film to disperse infra-red light. Utilizing a lowered hydrophilicity of water/IPA dispersant, an opal film could be successfully coated on a flexible Mylar film without significant dewetting problem.

  18. Structure and dynamics of binary liquid mixtures near their continuous demixing transitions

    Science.gov (United States)

    Roy, Sutapa; Dietrich, S.; Höfling, Felix

    2016-10-01

    The dynamic and static critical behavior of a family of binary Lennard-Jones liquid mixtures, close to their continuous demixing points (belonging to the so-called model H' dynamic universality class), are studied computationally by combining semi-grand canonical Monte Carlo simulations and large-scale molecular dynamics (MD) simulations, accelerated by graphic processing units (GPU). The symmetric binary liquid mixtures considered cover a variety of densities, a wide range of compressibilities, and various interactions between the unlike particles. The static quantities studied here encompass the bulk phase diagram (including both the binodal and the λ-line), the correlation length, and the concentration susceptibility, of the finite-sized systems above the bulk critical temperature Tc, the compressibility and the pressure at Tc. Concerning the collective transport properties, we focus on the Onsager coefficient and the shear viscosity. The critical power-law singularities of these quantities are analyzed in the mixed phase (above Tc) and non-universal critical amplitudes are extracted. Two universal amplitude ratios are calculated. The first one involves static amplitudes only and agrees well with the expectations for the three-dimensional Ising universality class. The second ratio includes also dynamic critical amplitudes and is related to the Einstein-Kawasaki relation for the interdiffusion constant. Precise estimates of this amplitude ratio are difficult to obtain from MD simulations, but within the error bars our results are compatible with theoretical predictions and experimental values for model H'. Evidence is reported for an inverse proportionality of the pressure and the isothermal compressibility at the demixing transition, upon varying either the number density or the repulsion strength between unlike particles.

  19. ETHANOL, ACETIC ACID, AND WATER ADSORPTION FROM BINARY AND TERNARY LIQUID MIXTURES ON HIGH-SILICA ZEOLITES

    Science.gov (United States)

    Adsorption isotherms were measured for ethanol, acetic acid, and water adsorbed on high-silica ZSM-5 zeolite powder from binary and ternary liquid mixtures at room temperature. Ethanol and water adsorption on two high-silica ZSM-5 zeolites with different aluminum contents and a h...

  20. Segregation of ions at the interface: molecular dynamics studies of the bulk and liquid-vapor interface structure of equimolar binary mixtures of ionic liquids.

    Science.gov (United States)

    Palchowdhury, Sourav; Bhargava, B L

    2015-08-14

    The structures of three different equimolar binary ionic liquid mixtures and their liquid-vapor interface have been studied using atomistic molecular dynamics simulations. Two of these binary mixtures were composed of a common cation 1-n-butyl-3-methylimidazolium and varying anions (chloride and hexafluorophosphate in one of the mixtures and chloride and trifluoromethanesulfonate in the other) and the third binary mixture was composed of a common anion, trifluoromethanesulfonate and two imidazolium cations with ethyl and octyl side chains. Binary mixtures with common cations are found to be homogeneous. The anions are preferentially located near the ring hydrogen atoms due to H-bonding interactions. Segregation of ions is observed at the interface with an enrichment of the liquid-vapor interface layer by longer alkyl chains and bigger anions with a distributed charge. The surface composition is drastically different from that of the bulk composition, with the longer alkyl tail groups and bigger anions populating the outermost layer of the interface. The longer alkyl chains of the cations and trifluoromethanesulfonate anions with a smaller charge density show orientational ordering at the liquid-vapor interface.

  1. PHASE EQUILIBRIA FOR BINARY SYSTEMS CONTAINING IONIC LIQUID WITH WATER OR HYDROCARBONS

    Directory of Open Access Journals (Sweden)

    Dheiver Santos

    2015-12-01

    Full Text Available Abstract In this work, the mutual solubilities of sets of ionic liquids ([CnMIM] [TF2N] (n = 4, 8, 12, [C4PY] [TF2N], [C8MIM] [OTF] and organic compounds (heptane, o-xylene, toluene, or water are investigated. The experimental data measured for these systems were used to adjust the binary interaction parameters between their components for the Non-Random Two Liquid (NRTL model. The results showed that the solubility increased with temperature, with high hygroscopicity (10-1 in terms of mole fraction of the ILs, low interactions with aliphatic hydrocarbons, high interactions with aromatic hydrocarbons and the presence of a lower critical solution temperature (LCST. In addition, this study is the first to show that [C12MIM] [TF2N] is completely soluble in toluene and ortho-xylene between 273.15 and 373.15 K at 1 bar. The average deviations related to the mole fraction between the experimental and calculated values by the NRTL were less than 2.4%.

  2. Enthalpies of mixing in binary liquid alloys of lutetium with 3d metals

    Energy Technology Data Exchange (ETDEWEB)

    Ivanov, Michael; Berezutski, Vadim [National Academy of Sciences, Kyiv (Ukraine). I. Frantsevich Institute for Problems of Materials Science; Usenko, Natalia; Kotova, Natalia [Taras Shevchenko National Univ., Kyiv (Ukraine). Dept. of Chemistry

    2017-01-15

    The enthalpies of mixing in binary liquid alloys of lutetium with chromium, cobalt, nickel and copper were determined at 1 773 - 1 947 K by isoperibolic calorimetry. The enthalpies of mixing in the Lu-Cr melts (measured up to 40 at.% Cr) demonstrate endothermic effects (ΔH = 6.88 ± 0.66 kJ . mol{sup -1} at x{sub Lu} = 0.60), whereas significant exothermic enthalpies of mixing have been established within a wide composition region for the Co-Lu, Ni-Lu and Cu-Lu liquid alloys. Minimum values of the integral enthalpy of mixing are as follows: ΔH{sub min} = -23.57 ± 1.41 kJ . mol{sup -1} at x{sub Lu} = 0.38 for the Co-Lu system; ΔH{sub min} = -48.65 ± 2.83 kJ . mol{sup -1} at x{sub Lu} = 0.40 for the Ni-Lu system; ΔH{sub min} = -24.63 ± 1.52 kJ . mol{sup -1} at x{sub Lu} = 0.37 for the Cu-Lu system.

  3. Gels and lyotropic liquid crystals: using an imidazolium-based catanionic surfactant in binary solvents.

    Science.gov (United States)

    Cheng, Ni; Hu, Qiongzheng; Bi, Yanhui; Xu, Wenwen; Gong, Yanjun; Yu, Li

    2014-08-01

    The self-assembly behavior of an imidazolium-based catanionic surfactant, 1-butyl-3-methylimidazolium dodecylsulfate ([C4mim][C12H25SO4]), was investigated in water-ethylammonium nitrate (EAN) mixed solvents with different volume ratios. It is particular interesting that this simple surfactant could not only form lyotropic liquid crystals (LLC) with multimesophases, i.e., normal hexagonal (H1), lamellar liquid crystal (Lα), and reverse bicontinuous cubic phase (V2), in the water-rich environment but also act as an efficient low-molecular-weight gelator (LMWG) which gelated EAN-abundant binary media in a broad concentration range. The peculiar nanodisk cluster morphology of gels composed of similar bilayer units was first observed. FT-IR spectra and density functional theory (DFT) calculations reveal that strong H bonding and electrostatic interactions between EAN and the headgroups of [C4mim][C12H25SO4] are primarily responsible for gelation. The self-assembled gels displayed excellent mechanical strength and a thermoreversible sol-gel transition. It is for the first time that a rich variety of controllable ordered aggregates could be observed only by simply modulating the concentration of a single imidazolium-based catanionic surfactant or the ratio of mixed solvents. This environmentally friendly system is expected to have broad applications in various fields, such as materials science, drug delivery systems, and supramolecular chemistry.

  4. Phase equilibria study of the binary systems (N-hexylisoquinolinium thiocyanate ionic liquid + organic solvent or water).

    Science.gov (United States)

    Królikowska, Marta; Karpińska, Monika; Zawadzki, Maciej

    2012-04-12

    Liquid-liquid phase equilibria (LLE) of binary mixtures containing a room-temperature ionic liquid N-hexylisoquinolinium thiocyanate, [HiQuin][SCN] with an aliphatic hydrocarbon (n-hexane, n-heptane), aromatic hydrocarbon (benzene, toluene, ethylbenzene, n-propylbenzene), cyclohexane, thiophene, water, and 1-alcohol (1-ethanol, 1-butanol, 1-hexanol, 1-octanol, 1-decanol) have been determined using a dynamic method from room temperature to the boiling-point of the solvent at ambient pressure. N-hexylisoquinolinium thiocyanate, [HiQuin][SCN] has been synthesized from N-hexyl-isoquinolinium bromide as a substrate. Specific basic characterization of the new compound including NMR spectra, elementary analysis, and water content have been done. The density and viscosity of pure ionic liquid were determined over a wide temperature range from 298.15 to 348.15 K. The mutual immiscibility with an upper critical solution temperature (UCST) for the binary systems {IL + aliphatic hydrocarbon, cyclohexane, or water} was detected. In the systems of {IL + aromatic hydrocarbon or thiophene} an immiscibility gap with a lower critical solution temperature (LCST) was observed. Complete miscibility in the liquid phase, over a whole range of ionic liquid mole fraction, was observed for the binary mixtures containing IL and an 1-alcohol. For the tested binary systems with immiscibility gap {IL + aliphatic hydrocarbon, aromatic hydrocarbon, cyclohexane, thiophene, or water}, the parameters of the LLE correlation have been derived using the NRTL equation. The basic thermal properties of the pure IL, that is, the glass-transition temperature as well as the heat capacity at the glass-transition temperature, have been measured using a differential scanning microcalorimetry technique (DSC). Decomposition of the IL was detected by simultaneous thermogravimetric/differential thermal analysis (TG/DTA) experiments.

  5. Stokes shift dynamics in (non-dipolar ionic liquid + dipolar solvent) binary mixtures: A semi-molecular theory

    Science.gov (United States)

    Pal, Tamisra; Biswas, Ranjit

    2014-10-01

    A semi-molecular theory for studying composition dependent Stokes shift dynamics of a dipolar solute in binary mixtures of (non-dipolar ionic liquid + common dipolar solvent) is developed here. The theory provides microscopic expressions for solvation response functions in terms of static and dynamic structure factors of the mixture components and solute-solvent static correlations. In addition, the theory provides a framework for examining the interrelationship between the time dependent solvation response in and frequency dependent dielectric relaxation of a binary mixture containing electrolyte. Subsequently, the theory has been applied to predict ionic liquid (IL) mole fraction dependent dynamic Stokes shift magnitude and solvation energy relaxation for a dipolar solute, C153, in binary mixtures of an ionic liquid, trihexyltetradecylphosphonium chloride ([P14,666][Cl]) with a common dipolar solvent, methanol (MeOH). In the absence of suitable experimental data, necessary input parameters have been obtained from approximate methods. Dynamic shifts calculated for these mixtures exhibit a linear increase with IL mole fraction for the most part of the mixture composition, stressing the importance of solute-IL dipole-ion interaction. Average solvation rates, on the other hand, show a nonlinear IL mole fraction dependence which is qualitatively similar to what has been observed for such binary mixtures with imidazolium (dipolar) ILs. These predictions should be re-examined in suitable experiments.

  6. Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO{sub 2} + alkanol) binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Bejarano, Arturo; Gutierrez, Jorge E. [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Araus, Karina A. [Departamento de Ingenieria Quimica y Bioprocesos, Pontificia Universidad Catolica de Chile, Avda. Vicuna Mackenna 4860, Macul, Santiago (Chile); Fuente, Juan C. de la, E-mail: juan.delafuente@usm.c [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Centro Regional de Estudios en Alimentos Saludables, Blanco 1623, Valparaiso (Chile)

    2011-05-15

    Research highlights: (Vapor + liquid) equilibria of three (CO{sub 2} + C{sub 5} alcohol) binary systems were measured. Complementary data are reported at (313, 323 and 333) K and from (2 to 11) MPa. No liquid immiscibility was observed at the temperatures and pressures studied. Experimental data were correlated with the PR-EoS and the van de Waals mixing rules. Correlation results showed relative deviations {<=}8 % (liquid) and {<=}2 % (vapor). - Abstract: Complementary isothermal (vapor + liquid) equilibria data are reported for the (CO{sub 2} + 3-methyl-2-butanol), (CO{sub 2} + 2-pentanol), and (CO{sub 2} + 3-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 11) MPa. For all (CO{sub 2} + alcohol) systems, it was visually monitored that there was no liquid immiscibility at the temperatures and pressures studied. The experimental data were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapor + liquid) equilibria compositions were found to be in good agreement with the experimental data with deviations for the mole fractions <8% and <2% for the liquid and vapor phase, respectively.

  7. Order Parameter Profile in AN Adsorbed Binary Liquid Mixture Near Criticality.

    Science.gov (United States)

    Schlossman, Mark Loren

    Adsorption of a binary liquid mixture near criticality onto a solid glass substrate can be studied using light reflected off the glass/liquid boundary. In Part 1, reflectivity data analyzed with a modified Landau-Ginzburg theory using a contact wall interaction are shown to be consistent with an exponential decay of the order parameter into the bulk. This analysis provides a measure of h_{1 }, the effective glass/liquid interaction strength. The reflectivity can also be expressed as an expansion in the moments of the order parameter profile. For the data presented and an exponential profile the expansion can be truncated at the first order moment, M_{1} . We assume an exponential form of the profile to express the zeroth moment as a function of M _{1}. The first moment is fitted as a power law in t, the reduced temperature. Analysis of these data yields an exponent p = 0.88 +/- 0.10 that is consistent with the prediction p = 2nu - beta from the scaling law of Fisher and de Gennes. To further explore the profile an AC ellipsometer which used a photoelastic modulator was constructed. An unusual thermostat without traditional windows allowed the angle of incidence at the glass/liquid boundary to be varied over a large range. This allowed a large region in k -space to be explored, where k is twice the transmitted momentum wave vector perpendicular to the glass/liquid boundary. Excellent temperature control (0.1 mK/several hours) allowed the quantity kxi to be as large as kxi cong 15, where xi is the bulk correlation length. This should have allowed us to explore the power law region of the profile. During the investigation of the adsorption, certain anomalous data far above T _{c} (the critical temperature) were discovered. Temperature dependent hysteresis and very long equilibration times characterize the data. Until resolved, these features restrict progress in understanding the data closer to T_{c}. The data remain unexplained and are discussed, along with the

  8. The [BMI][Tf2N] ionic liquid/water binary system: a molecular dynamics study of phase separation and of the liquid-liquid interface.

    Science.gov (United States)

    Sieffert, N; Wipff, G

    2006-07-01

    We report molecular dynamics (MD) simulations of the aqueous interface of the hydrophobic [BMI][Tf2N] ionic liquid (IL), composed of 1-butyl-3-methylimidazolium cations (BMI+) and bis(trifluoromethylsulfonyl)imide anions (Tf2N-). The questions of water/IL phase separation and properties of the neat interface are addressed, comparing different liquid models (TIP3P vs TIP5P water and +1.0/-1.0 vs +0.9/-0.9 charged IL ions), the Ewald vs the reaction field treatments of the long range electrostatics, and different starting conditions. With the different models, the "randomly" mixed liquids separate much more slowly (in 20 to 40 ns) than classical water-oil mixtures do (typically, in less than 1 ns), finally leading to distinct nanoscopic phases separated by an interface, as in simulations which started with a preformed interface, but the IL phase is more humid. The final state of water in the IL thus depends on the protocol and relates to IL heterogeneities and viscosity. Water mainly fluctuates in hydrophilic basins (rich in O(Tf2N) and aromatic CH(BMI) groups), separated by more hydrophobic domains (rich in CF3(Tf2N) and alkyl(BMI) groups), in the form of monomers and dimers in the weakly humid IL phase, and as higher aggregates when the IL phase is more humid. There is more water in the IL than IL in water, to different extents, depending on the model. The interface is sharper and narrower (approximately 10 A) than with the less hydrophobic [BMI][PF6] IL and is overall neutral, with isotropically oriented molecules, as in the bulk phases. The results allow us to better understand the analogies and differences of aqueous interfaces with hydrophobic (but hygroscopic) ILs, compared to classical organic liquids.

  9. Physical parameters and the projection factor of the classical Cepheid in the binary system OGLE-LMC-CEP-0227

    CERN Document Server

    Pilecki, B; Pietrzyński, G; Gieren, W; Thompson, I B; Freedman, W L; Scowcroft, V; Madore, B F; Udalski, A; Soszyński, I; Konorski, P; Smolec, R; Nardetto, N; Bono, G; Moroni, P G Prada; Storm, J; Gallenne, A

    2013-01-01

    A novel method of analysis of double-lined eclipsing binaries containing a radially pulsating star is presented. The combined pulsating-eclipsing light curve is built up from a purely eclipsing light curve grid created using an existing modeling tool. For every pulsation phase the instantaneous radius and surface brightness are taken into account, being calculated from the disentangled radial velocity curve of the pulsating star and from its out-of-eclipse pulsational light curve and the light ratio of the components, respectively. The best model is found using the Markov Chain Monte Carlo method. The method is applied to the eclipsing binary Cepheid OGLE-LMC-CEP-0227 (P_puls = 3.80 d, P_orb = 309 d). We analyze a set of new spectroscopic and photometric observations for this binary, simultaneously fitting OGLE V-band, I-band and Spitzer 3.6 {\\mu}m photometry. We derive a set of fundamental parameters of the system significantly improving the precision comparing to the previous results obtained by our group. ...

  10. Ideal gas solubilities and solubility selectivities in a binary mixture of room-temperature ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Finotello Alexia; Bara Jason E.; Narayan Suguna; Campder Dean; Noble Richard D. [University of Colorado, Boulder, CO (United States)

    2008-07-01

    This study focuses on the solubility behaviors of CO{sub 2}, CH{sub 4}, and N{sub 2} gases in binary mixtures of imidazolium-based room-temperature ionic liquids (RTILs) using l-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)-imide ((C{sub 2}mim)(Tf{sub 2}N)) and l-ethyl-3-methylimidazolium tetrafluoroborate ((C{sub 2}mim)(BF{sub 4})) at 40{sup o}C and low pressures (about 1 atm). The mixtures tested were 0, 25, 50, 75, 90, 95, and 100 mol % (C{sub 2}mim)(BF{sub 4}) in (C{sub 2}-mim)(Tf2{sub N}). Results show that regular solution theory (RST) can be used to describe the gas solubility and selectivity behaviors in RTIL mixtures using an average mixture solubility parameter or an average measured mixture molar volume. Interestingly, the solubility selectivity, defined as the ratio of gas mole fractions in the RTIL mixture, of CO{sub 2} with N{sub 2} or CH{sub 4} in pure (C{sub 2}mim)(BF4) can be enhanced by adding 5 mol% (C{sub 2}-mim)(Tf{sub 2}N).

  11. Ideal gas solubilities and solubility selectivities in a binary mixture of room-temperature ionic liquids.

    Science.gov (United States)

    Finotello, Alexia; Bara, Jason E; Narayan, Suguna; Camper, Dean; Noble, Richard D

    2008-02-28

    This study focuses on the solubility behaviors of CO2, CH4, and N2 gases in binary mixtures of imidazolium-based room-temperature ionic liquids (RTILs) using 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][Tf2N]) and 1-ethyl-3-methylimidazolium tetrafluoroborate ([C2mim][BF4]) at 40 degrees C and low pressures (approximately 1 atm). The mixtures tested were 0, 25, 50, 75, 90, 95, and 100 mol % [C2mim][BF4] in [C2mim][Tf2N]. Results show that regular solution theory (RST) can be used to describe the gas solubility and selectivity behaviors in RTIL mixtures using an average mixture solubility parameter or an average measured mixture molar volume. Interestingly, the solubility selectivity, defined as the ratio of gas mole fractions in the RTIL mixture, of CO2 with N2 or CH4 in pure [C2mim][BF4] can be enhanced by adding 5 mol % [C2mim][Tf2N].

  12. Electrically Tunable Binary-Phase Fresnel Lens Based on Polymer Dispersed Liquid Crystal

    Directory of Open Access Journals (Sweden)

    Hui LI

    2017-05-01

    Full Text Available This is a proposal for a Fresnel lens with an electrically tunable binary-phase made of polymer dispersed liquid crystal (PDLC, which has relatively fast response time and low applied voltage. Simple fabrication is the major advantage of the proposed method. In this study, NOA65 and E7 were utilized with weight ratios of 60 wt.%: 40 wt.%. There was also the utilization of a relatively low intensity UV-light, 0.53 mW/cm2. The duration time of exposure was about 30 hours. The performance improvement of the Fresnel lens resulted from the infiltration of large LC droplet into the PDLC film. The phenomenon of black cross strip patterns could be explained with the use of the electro-hydrodynamics theory. The diffraction efficiency of the proposed lens was from 31.1 % to 41 % with the changes of externally applied voltage. This work presents an effective approach to get relatively complete phase separation in PDLC. The proposed method also provides great potential in developing high performance Fresnel lens.DOI: http://dx.doi.org/10.5755/j01.ms.23.2.16317

  13. Phase diagram, solubility limit and hydrodynamic properties of cellulose in binary solvents with ionic liquid.

    Science.gov (United States)

    Le, Kim Anh; Rudaz, Cyrielle; Budtova, Tatiana

    2014-05-25

    Cellulose solubility phase diagrams in two binary solvents based on 1-ethyl-3-methylimidazolium acetate (EmimAc) mixed with water and with dimethylsulfoxide (DMSO) were built. The minimal amount of EmimAc molecules needed to dissolve cellulose is 2.5-3moles per anhydroglucose unit. This proportion allows calculation of the maximal cellulose concentration soluble in EmimAc-DMSO at any composition; in EmimAc it is around 25-27wt%. Water forms hydrogen bonds with EmimAc and thus competes with cellulose for ionic liquid; the solubility of cellulose in EmimAc-water is much lower than that in EmimAc-DMSO. Hydrodynamic properties of cellulose in two solvent systems were compared. In EmimAc-DMSO cellulose intrinsic viscosity practically does not depend on DMSO content as predicted by the phase diagram. The intrinsic viscosity in EmimAc-water first increases with water content due to cellulose self-aggregation and then abruptly decreases due to coagulation.

  14. The solid-liquid phase diagrams of binary mixtures of consecutive, even saturated fatty acids.

    Science.gov (United States)

    Costa, Mariana C; Sardo, Mariana; Rolemberg, Marlus P; Coutinho, João A P; Meirelles, Antonio J A; Ribeiro-Claro, Paulo; Krähenbühl, M A

    2009-08-01

    For the first time, the solid-liquid phase diagrams of five binary mixtures of saturated fatty acids are here presented. These mixtures are formed of caprylic acid (C(8:0))+capric acid (C(10:0)), capric acid (C(10:0))+lauric acid (C(12:0)), lauric acid (C(12:0))+myristic acid (C(14:0)), myristic acid (C(14:0))+palmitic acid (C(16:0)) and palmitic acid (C(16:0))+stearic acid (C(18:0)). The information used in these phase diagrams was obtained by differential scanning calorimetry (DSC), X-ray diffraction (XRD), FT-Raman spectrometry and polarized light microscopy, aiming at a complete understanding of the phase diagrams of the fatty acid mixtures. All of the phase diagrams reported here presented the same global behavior and it was shown that this was far more complex than previously imagined. They presented not only peritectic and eutectic reactions, but also metatectic reactions, due to solid-solid phase transitions common in fatty acids and regions of solid solution not previously reported. This work contributes to the elucidation of the phase behavior of these important biochemical molecules, with implications in various industrial applications.

  15. Vapour–liquid equilibria of the OPLS (Optimized Potentials for Liquid Simulations model for binary systems of alkanes and alkanes + alcohols

    Directory of Open Access Journals (Sweden)

    SLOBODAN P. SERBANOVIC

    2005-03-01

    Full Text Available The NpT - Gibbs ensemble Monte Carlo computer simulationmethod was applied to predict the vapour–liquid equlibrium (VLE behavior of the binary systems ethane + pentane at 277.55 K and 310.95 K, ethane + hexane at 298.15 K, propane + methanol at 313.15 K and propane + ethanol at 325.15 K and 425.15 K. The optimised potentials for the liquid simulating (OPLS model were used to describe the interactions of alkanes and alcohols. The simulated VLE predictions are compared with experimental data available for the pressure and phase composition of the analyzed binary systems. The agreement between the experimental data and the simulation results is found to be generally good, although slightly better for system in which both components were nonpolar.

  16. Phase separation of a binary liquid in anodic aluminium oxide templates: a structural study by small angle neutron scattering.

    Science.gov (United States)

    Lefort, R; Duvail, J-L; Corre, T; Zhao, Y; Morineau, D

    2011-07-01

    The radial nanostructure of the binary liquid triethylamine/water confined in 60 nm diameter independent cylindrical pores of anodic aluminium oxide membranes is studied by small angle neutron scattering. It is shown that composition inhomogeneities are present in the confined mixtures well below the bulk critical point. An analysis of the neutron scattering form factor reveals the existence of an adsorbed water layer of a few nanometers at the liquid/alumina interface, coexisting with a TEA-rich phase in the core.

  17. Dielectric relaxation in ionic liquid/dipolar solvent binary mixtures: A semi-molecular theory

    Science.gov (United States)

    Daschakraborty, Snehasis; Biswas, Ranjit

    2016-03-01

    A semi-molecular theory is developed here for studying dielectric relaxation (DR) in binary mixtures of ionic liquids (ILs) with common dipolar solvents. Effects of ion translation on DR time scale, and those of ion rotation on conductivity relaxation time scale are explored. Two different models for the theoretical calculations have been considered: (i) separate medium approach, where molecularities of both the IL and dipolar solvent molecules are retained, and (ii) effective medium approach, where the added dipolar solvent molecules are assumed to combine with the dipolar ions of the IL, producing a fictitious effective medium characterized via effective dipole moment, density, and diameter. Semi-molecular expressions for the diffusive DR times have been derived which incorporates the effects of wavenumber dependent orientational static correlations, ion dynamic structure factors, and ion translation. Subsequently, the theory has been applied to the binary mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) with water (H2O), and acetonitrile (CH3CN) for which experimental DR data are available. On comparison, predicted DR time scales show close agreement with the measured DR times at low IL mole fractions (xIL). At higher IL concentrations (xIL > 0.05), the theory over-estimates the relaxation times and increasingly deviates from the measurements with xIL, deviation being the maximum for the neat IL by almost two orders of magnitude. The theory predicts negligible contributions to this deviation from the xIL dependent collective orientational static correlations. The drastic difference between DR time scales for IL/solvent mixtures from theory and experiments arises primarily due to the use of the actual molecular volume ( Vmol dip ) for the rotating dipolar moiety in the present theory and suggests that only a fraction of Vmol dip is involved at high xIL. Expectedly, nice agreement between theory and experiments appears when experimental

  18. Dielectric relaxation in ionic liquid/dipolar solvent binary mixtures: A semi-molecular theory.

    Science.gov (United States)

    Daschakraborty, Snehasis; Biswas, Ranjit

    2016-03-14

    A semi-molecular theory is developed here for studying dielectric relaxation (DR) in binary mixtures of ionic liquids (ILs) with common dipolar solvents. Effects of ion translation on DR time scale, and those of ion rotation on conductivity relaxation time scale are explored. Two different models for the theoretical calculations have been considered: (i) separate medium approach, where molecularities of both the IL and dipolar solvent molecules are retained, and (ii) effective medium approach, where the added dipolar solvent molecules are assumed to combine with the dipolar ions of the IL, producing a fictitious effective medium characterized via effective dipole moment, density, and diameter. Semi-molecular expressions for the diffusive DR times have been derived which incorporates the effects of wavenumber dependent orientational static correlations, ion dynamic structure factors, and ion translation. Subsequently, the theory has been applied to the binary mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) with water (H2O), and acetonitrile (CH3CN) for which experimental DR data are available. On comparison, predicted DR time scales show close agreement with the measured DR times at low IL mole fractions (x(IL)). At higher IL concentrations (x(IL) > 0.05), the theory over-estimates the relaxation times and increasingly deviates from the measurements with x(IL), deviation being the maximum for the neat IL by almost two orders of magnitude. The theory predicts negligible contributions to this deviation from the x(IL) dependent collective orientational static correlations. The drastic difference between DR time scales for IL/solvent mixtures from theory and experiments arises primarily due to the use of the actual molecular volume (V(mol)(dip)) for the rotating dipolar moiety in the present theory and suggests that only a fraction of V(mol)(dip) is involved at high x(IL). Expectedly, nice agreement between theory and experiments appears when

  19. Thermodynamic Investigation of the Effect of Interface Curvature on the Solid-Liquid Equilibrium and Eutectic Point of Binary Mixtures.

    Science.gov (United States)

    Liu, Fanghui; Zargarzadeh, Leila; Chung, Hyun-Joong; Elliott, Janet A W

    2017-09-29

    Thermodynamic phase behavior is affected by curved interfaces in micro- and nanoscale systems. For example, capillary freezing point depression is associated with the pressure difference between the solid and liquid phases caused by interface curvature. In this study, the thermal, mechanical, and chemical equilibrium conditions are derived for binary solid-liquid equilibrium with a curved solid-liquid interface due to confinement in a capillary. This derivation shows the equivalence of the most general forms of the Gibbs-Thomson and Ostwald-Freundlich equations. As an example, the effect of curvature on solid-liquid equilibrium is explained quantitatively for the water/glycerol system. Considering the effect of a curved solid-liquid interface, a complete solid-liquid phase diagram is developed over a range of concentrations for the water/glycerol system (including the freezing of pure water or precipitation of pure glycerol depending on the concentration of the solution). This phase diagram is compared with the traditional phase diagram in which the assumption of a flat solid-liquid interface is made. We show the extent to which nanoscale interface curvature can affect the composition-dependent freezing and precipitating processes, as well as the change in the eutectic point temperature and concentration with interface curvature. Understanding the effect of curvature on solid-liquid equilibrium in nanoscale capillaries has applications in the food industry, soil science, cryobiology, nanoporous materials, and various nanoscience fields.

  20. Semi-empirical correlation for binary interaction parameters of the Peng-Robinson equation of state with the van der Waals mixing rules for the prediction of high-pressure vapor-liquid equilibrium.

    Science.gov (United States)

    Fateen, Seif-Eddeen K; Khalil, Menna M; Elnabawy, Ahmed O

    2013-03-01

    Peng-Robinson equation of state is widely used with the classical van der Waals mixing rules to predict vapor liquid equilibria for systems containing hydrocarbons and related compounds. This model requires good values of the binary interaction parameter kij . In this work, we developed a semi-empirical correlation for kij partly based on the Huron-Vidal mixing rules. We obtained values for the adjustable parameters of the developed formula for over 60 binary systems and over 10 categories of components. The predictions of the new equation system were slightly better than the constant-kij model in most cases, except for 10 systems whose predictions were considerably improved with the new correlation.

  1. Semi-empirical correlation for binary interaction parameters of the Peng–Robinson equation of state with the van der Waals mixing rules for the prediction of high-pressure vapor–liquid equilibrium

    Directory of Open Access Journals (Sweden)

    Seif-Eddeen K. Fateen

    2013-03-01

    Full Text Available Peng–Robinson equation of state is widely used with the classical van der Waals mixing rules to predict vapor liquid equilibria for systems containing hydrocarbons and related compounds. This model requires good values of the binary interaction parameter kij. In this work, we developed a semi-empirical correlation for kij partly based on the Huron–Vidal mixing rules. We obtained values for the adjustable parameters of the developed formula for over 60 binary systems and over 10 categories of components. The predictions of the new equation system were slightly better than the constant-kij model in most cases, except for 10 systems whose predictions were considerably improved with the new correlation.

  2. Semi-empirical correlation for binary interaction parameters of the Peng–Robinson equation of state with the van der Waals mixing rules for the prediction of high-pressure vapor–liquid equilibrium

    Science.gov (United States)

    Fateen, Seif-Eddeen K.; Khalil, Menna M.; Elnabawy, Ahmed O.

    2012-01-01

    Peng–Robinson equation of state is widely used with the classical van der Waals mixing rules to predict vapor liquid equilibria for systems containing hydrocarbons and related compounds. This model requires good values of the binary interaction parameter kij. In this work, we developed a semi-empirical correlation for kij partly based on the Huron–Vidal mixing rules. We obtained values for the adjustable parameters of the developed formula for over 60 binary systems and over 10 categories of components. The predictions of the new equation system were slightly better than the constant-kij model in most cases, except for 10 systems whose predictions were considerably improved with the new correlation. PMID:25685411

  3. Dielectric relaxation of binary polar liquid mixture measured in benzene at 10 GHz frequency

    Indian Academy of Sciences (India)

    S Sahoo; K Dutta; S Acharyya; S K Sit

    2008-03-01

    The dielectric relaxation times 's and dipole moments 's of the binary () polar liquid mixture of N,N-dimethyl acetamide (DMA) and acetone (Ac) dissolved in benzene (i) are estimated from the measured real ′ and imaginary ″ parts of complex high frequency conductivity * of the solution for different weight fractions 's of 0.0, 0.3, 0.5, 0.7 and 1.0 mole fractions of Ac and temperatures (25, 30, 35 and 40°C) respectively under 9.88 GHz electric field. 's are obtained from the ratio of slopes of ″ - and ′ - curves at → 0 as well as linear slope of ″ - ′ curves of the existing method (Murthy et al, 1989) in order to eliminate polar-polar interaction in the latter case. The calculated 's are in excellent agreement with the reported 's due to Gopalakrishna's method. 's are also estimated from slopes 's of total conductivity - curves at → 0 and the values agree well with the reported 's from G.K. method. The variation of 's and 's with of Ac reveals that solute-solute molecular association occurs within 0.0-0.3 of Ac beyond which solute-solvent molecular association is predicted. The theoretical dipole moments theo's are calculated from bond angles and bond moments to have exact 's only to show the presence of inductive, mesomeric and electromeric effects in the substituent polar groups. The thermodynamic energy parameters are estimated from ln () against 1/ linear curve from Eyring's rate theory to know the molecular dynamics of the system and to establish the fact that the mixture obeys the Debye-Smyth relaxation mechanism.

  4. Phase behaviors of binary mixtures composed of electron-rich and electron-poor triphenylene discotic liquid crystals

    Science.gov (United States)

    An, Lingling; Jing, Min; Xiao, Bo; Bai, Xiao-Yan; Zeng, Qing-Dao; Zhao, Ke-Qing

    2016-09-01

    Disk-like liquid crystals (DLCs) can self-assemble to ordered columnar mesophases and are intriguing one-dimensional organic semiconductors with high charge carrier mobility. To improve their applicable property of mesomorphic temperature ranges, we exploit the binary mixtures of electronic donor-acceptor DLC materials. The electron-rich 2,3,6,7,10,11-hexakis(alkoxy)triphenylenes (C4, C6, C8, C10, C12) and an electron-deficient tetrapentyl triphenylene-2,3,6,10-tetracarboxylate have been prepared and their binary mixtures have been investigated. The mesomorphism of the 1:1 (molar ratio) mixtures has been characterized by polarizing optical microscopy (POM), differential scanning calorimetry (DSC), and small angel x-ray scattering (SAXS). The self-assembled monolayer structure of a discogen on a solid-liquid interface has been imaged by the high resolution scanning tunneling microscopy (STM). The match of peripheral chain length has important influence on the mesomorphism of the binary mixtures. Project supported by the National Natural Science Foundation of China (Grant Nos. 51273133 and 51443004).

  5. The Araucaria Project: A study of the classical Cepheid in the eclipsing binary system OGLE LMC562.05.9009 in the Large Magellanic Cloud

    CERN Document Server

    Gieren, Wolfgang; Pietrzynski, Grzegorz; Graczyk, Dariusz; Udalski, Andrzej; Soszynki, Igor; Thompson, Ian B; Moroni, Pier Giorgio Prada; Smolec, Radoslaw; Konorski, Piotr; Gorski, Marek; Karczmarek, Paulina; Suchomska, Ksenia; Taormina, Monica; Gallenne, Alexandre; Storm, Jesper; Bono, Giuseppe; Catelan, Marcio; Szymanski, Michal; Kozlowski, Szymon; Pietrukowicz, Pawel; Wyrzykowski, Lukasz; Poleski, Radoslaw; Skowron, Jan; Minniti, Dante; Ulaczyk, K; Mroz, P; Pawlak, M; Nardetto, Nicolas

    2015-01-01

    We present a detailed study of the classical Cepheid in the double-lined, highly eccentric eclipsing binary system OGLE-LMC562.05.9009. The Cepheid is a fundamental mode pulsator with a period of 2.988 days. The orbital period of the system is 1550 days. Using spectroscopic data from three 4-8-m telescopes and photometry spanning 22 years, we were able to derive the dynamical masses and radii of both stars with exquisite accuracy. Both stars in the system are very similar in mass, radius and color, but the companion is a stable, non-pulsating star. The Cepheid is slightly more massive and bigger (M_1 = 3.70 +/- 0.03M_sun, R_1 = 28.6 +/- 0.2R_sun) than its companion (M_2 = 3.60 +/- 0.03M_sun, R_2 = 26.6 +/- 0.2R_sun). Within the observational uncertainties both stars have the same effective temperature of 6030 +/- 150K. Evolutionary tracks place both stars inside the classical Cepheid instability strip, but it is likely that future improved temperature estimates will move the stable giant companion just beyond...

  6. Binary Solvents Dispersive Liquid—Liquid Microextraction (BS-DLLME) Method for Determination of Tramadol in Urine Using High-Performance Liquid Chromatography

    Science.gov (United States)

    2014-01-01

    Background Tramadol is an opioid, synthetic analog of codeine and has been used for the treatment of acute or chronic pain may be abused. In this work, a developed Dispersive liquid liquid microextraction (DLLME) as binary solvents-based dispersive liquid-liquid microextraction (BS-DLLME) combined with high performance liquid chromatography (HPLC) with fluorescence detection (FD) was employed for determination of tramadol in the urine samples. This procedure involves the use of an appropriate mixture of binary extraction solvents (70 μL CHCl3 and 30 μL ethyl acetate) and disperser solvent (600 μL acetone) for the formation of cloudy solution in 5 ml urine sample comprising tramadol and NaCl (7.5%, w/v). After centrifuging, the small droplets of extraction solvents were precipitated. In the final step, the HPLC with fluorescence detection was used for determination of tramadol in the precipitated phase. Results Various factors on the efficiency of the proposed procedure were investigated and optimized. The detection limit (S/N = 3) and quantification limit (S/N = 10) were found 0.2 and 0.9 μg/L, respectively. The relative standard deviations (RSD) for the extraction of 30 μg L of tramadol was found 4.1% (n = 6). The relative recoveries of tramadol from urine samples at spiking levels of 10, 30 and 60 μg/L were in the range of 95.6 – 99.6%. Conclusions Compared with other methods, this method provides good figures of merit such as good repeatability, high extraction efficiency, short analysis time, simple procedure and can be used as microextraction technique for routine analysis in clinical laboratories. PMID:24495475

  7. Experimental determination and prediction of (solid+liquid) phase equilibria for binary mixtures of heavy alkanes and fatty acids

    Science.gov (United States)

    Benziane, Mokhtar; Khimeche, Kamel; Dahmani, Abdellah; Nezar, Sawsen; Trache, Djalal

    2012-06-01

    Solid-liquid equilibria for three binary mixtures, n-Eicosane (1) + Lauric acid (2), n-Tetracosane (1) + Stearic acid (2), and n-Octacosane (1) + Palmitic acid (2), were measured using a differential scanning calorimeter. Simple eutectic behaviour was observed for these systems. The experimental results were correlated by means of the modified UNIFAC (Larsen and Gmehling versions), UNIQUAC and ideal models. The root-mean-square deviations of the solubility temperatures for all measured data vary from 0.26 to 3.15 K and depend on the particular model used. The best solubility correlation was obtained with the UNIQUAC model.

  8. Measurement and modeling of high-pressure (vapour + liquid) equilibria of (CO{sub 2} + alcohol) binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Gutierrez, Jorge E.; Bejarano, Arturo [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Fuente, Juan C. de la, E-mail: juan.delafuente@usm.c [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Centro Regional de Estudios en Alimentos Saludables, Blanco 1623, Valparaiso (Chile)

    2010-05-15

    An apparatus based on a static-analytic method assembled in this work was utilized to perform high pressure (vapour + liquid) equilibria measurements with uncertainties estimated at <5%. Complementary isothermal (vapour + liquid) equilibria results are reported for the (CO{sub 2} + 1-propanol), (CO{sub 2} + 2-methyl-1-propanol), (CO{sub 2} + 3-methyl-1-butanol), and (CO{sub 2} + 1-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 12) MPa. For all the (CO{sub 2} + alcohol) systems, it was visually monitored to insure that there was no liquid immiscibility at the temperatures and pressures studied. The experimental results were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapour + liquid) equilibria compositions were found to be in good agreement with the experimental values with deviations for the mol fractions <0.12 and <0.05 for the liquid and vapour phase, respectively.

  9. Efficiency enhancement of dye-sensitized solar cells with addition of additives (single/binary) to ionic liquid electrolyte

    Indian Academy of Sciences (India)

    H-S Lee; S-H Bae; C-H Han; S S Sekhon

    2012-11-01

    The effect of addition of single and binary additives on the performance of dye-sensitized TiO2 solar cells based on electrolytes containing an ionic liquid (IL), 1,2-dimethyl-3-propylimidazolium iodide (DMPII) has been studied. Among the seven additives used, the addition of 2-(dimethylamino)-pyridine (DMAP) to IL resulted in best cell efficiency, which showed further enhancement with the addition of 5-chloro-1-ethyl-2-methylimidazole (CEMI) as second additive. The efficiency of the dye-sensitized solar cell (DSC) based on an electrolyte containing binary additives (DMAP and CEMI in equal molar ratios) has been found to increase by 62.5% from 4.35 to 7.07%. The dependence of different photovoltaic performance parameters (\\oc, sc, , ) of DSC upon temperature has been studied over a 30–120°C range and only a small decrease in conversion efficiency has been observed. The electrolyte containing binary additives (DMAP and CEMI) shows best cell performance up to 120°C.

  10. Dynamic pattern formation of liquid crystals using binary self-assembled monolayers on an ITO surface under DC voltage.

    Science.gov (United States)

    Ishida, Takao; Oyama, Makiko; Terada, Kei-ichi; Haga, Masa-aki

    2014-12-07

    There have been numerous studies of liquid crystal (LC) convection using sandwich-type LC cells under AC voltage. In contrast to previous LC convection studies under AC voltage, we propose the use of a binary self-assembled monolayer (SAM) with a redox-active Ru complex and insulating octadecyl phosphonic acid (C18) molecules on an indium tin oxide (ITO) surface as the electrode of sandwich-type LC cells under DC bias voltage. This is because the functionalized molecules immobilized on the ITO surface are expected to control the LC orientation and electrical conduction of LC cells, under an exact DC bias voltage. We successfully achieved LC pattern formation using ITO electrodes with binary SAMs in LC cells. Moreover, we confirmed that the LC pattern size was increased by increasing the coverage of the Ru complex in binary SAMs. We consider that a combination of three factors, electrical conduction change, controlling of LC orientation in the initial stage and redox-activity of the Ru-complex, is the reason for LC convection although we cannot fully explain the distribution of these three factors. We believe that our LC pattern formation is promising for new type devices e.g., artificial compound eyes using the LC device technology.

  11. Acousto-optic effect in a nematic liquid-crystal layer under the binary effect of sound and viscous waves

    Energy Technology Data Exchange (ETDEWEB)

    Kozhevnikov, E. N., E-mail: kozhev@ssu.samara.ru [Samara State University (Russian Federation)

    2010-03-15

    The optical effect in a liquid crystal cell containing a homeotropic layer of nematic liquid crystal (NLC) is analyzed. An NLC layer, located between crossed polaroids and opaque in the absence of external effect, is cleared after irradiation by an ultrasonic beam with a sharp spatial boundary. This enlightenment is suggested to be caused by the reorientation of crystal molecules in the acoustic flows that arise under the binary effect of the layer compression in the irradiated region and the viscous waves propagating from the layer boundaries. The flows were calculated taking into account the stress caused by the velocity convection and crystal structure relaxation. An expression is derived for the cell transparency, and the relative role of the convection and relaxation processes in the effect is determined.

  12. Surface behaviour and undercooling in the liquid Ga-Bi binary system detected by optical second harmonic generation

    Institute of Scientific and Technical Information of China (English)

    王聪; 王天民

    2003-01-01

    We employ an optical second harmonic generation(SHG) technique to investigate the surfeace behaviours at the liquid(solid)/vapour interface of the Ga-Bi binary metallic system. In a heating and cooling cycle between 280℃ and room temperature, there is no change of the SH-intensity in the heating process, whereas there exists an abrupt and abnormal change of the SH-intensity in the cooling process. It is interesting to find that a macroscopic Bi-rich solid layer is floating on the surface of the Ga-rich liquid phase just below the monotectic temperature (222℃±2℃) in the cooling process, in spite of the Bi-rich phase being heavier than the Ga-rich phase. On the other hand, different undercooling behaviours are observed at the surface and in the bulk. The behaviours of surface solidification and surface melting are different from those in the bulk.

  13. THE ARAUCARIA PROJECT: A STUDY OF THE CLASSICAL CEPHEID IN THE ECLIPSING BINARY SYSTEM OGLE LMC562.05.9009 IN THE LARGE MAGELLANIC CLOUD

    Energy Technology Data Exchange (ETDEWEB)

    Gieren, Wolfgang; Pilecki, Bogumił; Pietrzyński, Grzegorz; Graczyk, Dariusz; Górski, Marek; Taormina, Mónica; Gallenne, Alexandre, E-mail: wgieren@astro-udec.cl, E-mail: pilecki@astrouw.edu.pl, E-mail: pietrzyn@astrouw.edu.pl [Universidad de Concepción, Departamento de Astronomía, Casilla 160-C, Concepción (Chile); and others

    2015-12-10

    We present a detailed study of the classical Cepheid in the double-lined, highly eccentric eclipsing binary system OGLE-LMC562.05.9009. The Cepheid is a fundamental mode pulsator with a period of 2.988 days. The orbital period of the system is 1550 days. Using spectroscopic data from three 4–8-m telescopes and photometry spanning 22 years, we were able to derive the dynamical masses and radii of both stars with exquisite accuracy. Both stars in the system are very similar in mass, radius, and color, but the companion is a stable, non-pulsating star. The Cepheid is slightly more massive and bigger (M{sub 1} = 3.70 ± 0.03 M{sub ⊙}, R{sub 1} = 28.6 ± 0.2 R{sub ⊙}) than its companion (M{sub 2} = 3.60 ± 0.03 M{sub ⊙}, R{sub 2} = 26.6 ± 0.2 R{sub ⊙}). Within the observational uncertainties both stars have the same effective temperature of 6030 ± 150 K. Evolutionary tracks place both stars inside the classical Cepheid instability strip, but it is likely that future improved temperature estimates will move the stable giant companion just beyond the red edge of the instability strip. Within current observational and theoretical uncertainties, both stars fit on a 205 Myr isochrone arguing for their common age. From our model, we determine a value of the projection factor of p = 1.37 ± 0.07 for the Cepheid in the OGLE-LMC562.05.9009 system. This is the second Cepheid for which we could measure its p-factor with high precision directly from the analysis of an eclipsing binary system, which represents an important contribution toward a better calibration of Baade-Wesselink methods of distance determination for Cepheids.

  14. Test of classical nucleation theory and mean first-passage time formalism on crystallization in the Lennard-Jones liquid

    Science.gov (United States)

    Lundrigan, Sarah E. M.; Saika-Voivod, Ivan

    2009-09-01

    We perform molecular dynamics (MD) and Monte Carlo computer simulations to test the ability of the recently developed formalism of mean first-passage time (MFPT) [J. Wedekind, R. Strey, and D. Reguera, J. Chem. Phys. 126, 134103 (2007); J. Wedekind and D. Reguera, J. Phys. Chem. B 112, 11060 (2008)] to characterize crystal nucleation in the Lennard-Jones liquid. We find that the nucleation rate, critical embryo size, Zeldovich factor, attachment rate, and the nucleation barrier profile obtained from MFPT all compare very well to the same quantities calculated using other methods. Furthermore, we find that the nucleation rate obtained directly through MD closely matches the prediction of classical nucleation theory.

  15. Comparative Study of Molecular Interactions in Binary Liquid Mixtures of 4 –Methyl-2-pentanoneWith Butan-2-One, Furfuraldehyde, Cyclohexanone At 308 K

    Directory of Open Access Journals (Sweden)

    D. Ubagaramary

    2016-03-01

    Full Text Available Molecular interaction studies using ultrasonic technique in the binary liquid mixtures of 4 –Methyl-2-pentanone With Butan-2-One,Furfuraldehyde and Cyclohexanonehas been carried out at different temperature. Using the measured values of ultrasonic velocity, density and viscosity, acoustical parameters and their excess values are evaluated. From these excess parametersare used to discussing about the nature and strength of the interactions in these binary systems.

  16. High tenacity regenerated chitosan fibers prepared by using the binary ionic liquid solvent (Gly·HCl)-[Bmim]Cl.

    Science.gov (United States)

    Ma, Bomou; Qin, Aiwen; Li, Xiang; He, Chunju

    2013-09-12

    A binary ionic liquid system was confirmed to be a promising solvent to dissolve chitosan, and the regenerated chitosan fibers were prepared by wet and dry-wet spinning technique respectively. The SEM results show that the chitosan fibers prepared by wet spinning technique present striated surface and round cross section, and the chitosan fibers prepared by dry-wet spinning technique present smooth surface and irregular cross section. The mechanical testing results show that the regenerated chitosan fibers present relatively high tenacity, especially, these prepared by dry-wet spinning process present excellent strength and initial modulus, i.e. 2.1cN/dtex and 83.5cN/dtex, which is stronger than that of most reported chitosan fibers. The FT-IR results show that the dissolution of chitosan in the binary ionic liquid system is due to the protonation of NH₂ groups in the chitosan chains. Furthermore, a possible reaction during the dissolution and regeneration process is proposed.

  17. Motion of electrons in non polar classical liquids. Final report, May 1, 1979-June 30, 1984

    Energy Technology Data Exchange (ETDEWEB)

    Ascarelli, G.

    1984-06-01

    Our research on the motion of electrons in insulating liquids has had both a theoretical and an experimental facet. The former was necessary to guide the latter. The experimental aims of the program were to develop a new technique to measure the Hall mobility of injected electrons in an insulating liquid and to develop a measurement of the density of localized states within a few kT from the conduction band edge. On the basis of our theoretical work, we concluded that these states are essential for the understanding of phenomena involved in large part of the observations carried out in studying the motion of electrons in liquids. The measurement of the hall mobility of electrons injected in liquids was very successful. Results from these experiments confirmed the expected importance of localized states in the liquid. We were however, unable to directly measure the density of localized states below the conduction band edge of rare gasses. Our theoretical work was able to explain the apparent saturation of the time of flight (TOF) velocity in rare gasses, the increase of the saturation TOF velocity by the addition of impurities to rare gasses as well as the electric field induced variation of the probability of capture of an electron by an impurity. An estimate of the average energy of localized states below the conduction band edge was calculated. A novel method for the measurement of the effective mass of electrons injected in an insulating liquid was proposed. Finally an adaptation of the theory of the mobility of electrons scattered by phonons that has been used for solids was adapted to liquids.

  18. Liquid crystalline behaviour of mixtures of structurally dissimilar mesogens in binary systems

    Indian Academy of Sciences (India)

    Jayrang S Dave; Meera R Menon; Pratik R Patel

    2002-06-01

    We have studied four binary systems comprising four ester components, viz. 4-nitrophenyl-4'--alkoxybenzoates (where -alkoxy is nbutoxy, C4, -hexyloxy, C6, -octyloxy, C8 and -decyloxy, C10) and one azo component, 4--decyloxy phenylazo-4'-isoamyloxy benzene. A variety of mesomorphic properties are observed in these mixtures. The properties of these systems are discussed on the basis of phase diagrams.

  19. A Comparative Analysis of Ultrasound Velocity in Binary Liquid Systems of PPG by Mathematical and Experimental Methods

    Science.gov (United States)

    Gayathri, A.; Venugopal, T.; Venkatramanan, K.

    The estimation of the speed of ultrasound is the fundamental requirement for investigating the transport properties of liquid and solid systems. Ultrasonic velocities of liquid mixtures containing polar and non-polar groups are of considerable importance in understanding inter-molecular interaction between component molecules and they find applications in several industrial and technological processes. There are many standard mathematical methods available to measure the ultrasonic velocity. In the present study, interferometric technique is planned for experimental measurement of ultrasound velocity. In this paper, the speed of ultrasound waves in Polypropylene Glycol (PPG 400, PPG 4000) in toluene has been estimated for different concentrations (2%, 4%, 6%, 8% & 10%) at 303K and these experimental values compared with theoretical values obtained by using various mathematical methods like Nomotto's Relation, Vandeal Vangeal Relation, Impedance Relation, and Rao's specific sound velocity. The most reliable method that matches with experimental method is identified using Average Percentage Error (APE) and analysed in the light of molecular interactions occurring in the binary liquid systems. Comparison of evaluated theoretical velocities with experimental values will reveal the nature of interaction between component molecules in the mixtures. Such theoretical study is useful in defining a comprehensive theoretical model for a specific liquid mixture. Also, various molecular interaction parameters like free volume, internal pressure, viscous relaxation time, inter atomic free length, etc are calculated and discussed in terms of polymer-solvent interactions.

  20. Phase equilibria study of the binary systems (1-butyl-3-methylimidazolium thiocyanate ionic liquid + organic solvent or water).

    Science.gov (United States)

    Domańska, Urszula; Laskowska, M; Pobudkowska, Aneta

    2009-05-07

    (Solid + liquid) phase equilibria (SLE) for the binary systems, ionic liquid (IL) 1-butyl-3-methylimidazolium thiocyanate [BMIM][SCN] with an alcohol (1-octanol, 1-nonanol, 1-decanol, 1-undecanol, or 1-dodecanol) or water, and (liquid + liquid) phase equilibria (LLE) for the binary systems of [BMIM][SCN] with an alkane (n-hexane, n-heptane, n-octane, n-nonane, or n-decane), benzene, an alkylbenzenes (toluene or ethylbenzene), tetrahydrofuran (THF), cycloalkanes (cyclohexane or cycloheptane), or ethers (di-n-propyl ether, di-n-butyl ether, di-n-pentyl ether, n-butylmethyl ether, tert-butylmethyl ether (MTBE), or tert-butylethyl ether (ETBE)) have been determined at ambient pressure. A dynamic method was used over a broad range of mole fractions and temperatures from 250 to 430 K. In the case of systems IL + alkane, cycloalkane, or ether, the mutual immiscibility with an upper critical solution temperature (UCST) was detected, and in the systems of IL + benzene, alkylbenzene, or THF, the mutual immiscibility with a lower critical solution temperature (LCST) was observed. UV-vis spectroscopy was used to determine the very small compositions of the IL in the n-hexane (about 2 x 10(-5) IL mole fraction), benzene (about 2 x 10(-3) IL mole fraction), cyclohexane (about 2 x 10(-5) IL mole fraction), and THF (about 1.2 x 10(-2) IL mole fraction). For the binary systems containing alcohol, it was noticed that with increasing chain length of an alcohol, the solubility decreases. The basic thermal properties of the pure IL, that is, the glass-transition temperature as well as the heat capacity at the glass-transition temperature, have been measured using a differential scanning microcalorimetry technique (DSC). Decomposition of the IL was detected by the simultaneous TG/DTA experiments. Well-known UNIQUAC, Wilson, and NRTL equations have been used to correlate the experimental SLE data sets for alcohols and water. For the systems containing immiscibility gaps {IL + alkane

  1. A concise course on the theory of classical liquids basics and selected topics

    CERN Document Server

    Santos, Andrés

    2016-01-01

    This short primer offers non-specialist readers a concise, yet comprehensive introduction to the field of classical fluids – providing both fundamental information and a number of selected topics to bridge the gap between the basics and ongoing research. In particular, hard-sphere systems represent a favorite playground in statistical mechanics, both in and out of equilibrium, as they represent the simplest models of many-body systems of interacting particles, and at higher temperature and densities they have proven to be very useful as reference systems for real fluids. Moreover, their usefulness in the realm of soft condensed matter has become increasingly recognized – for instance, the effective interaction among (sterically stabilized) colloidal particles can be tuned to almost perfectly match the hard-sphere model. These lecture notes present a brief, self-contained overview of equilibrium statistical mechanics of classical fluids, with special applications to both the structural and thermodynamic pr...

  2. S100A13-C2A binary complex structure-a key component in the acidic fibroblast growth factor for the non-classical pathway.

    Science.gov (United States)

    Mohan, Sepuru K; Rani, Sandhya G; Kumar, Sriramoju M; Yu, Chin

    2009-03-13

    Fibroblast growth factors (FGFs) are key regulators of cell proliferation, differentiation, tumor-induced angiogenesis and migration. FGFs are essential for early embryonic development, organ formation and angiogenesis. They play important roles in tumor formation, inflammation, wound healing and restenosis. The biological effects of FGFs are mediated through the activation of the four transmembrane phosphotyrosine kinase receptors (FGFRs) in the presence of heparin sulfate proteoglycans (HSPGs) and therefore require the release of FGFs into the extracellular space. However, FGF-1 lacks the signal peptide required for the releasing of these proteins through the classical endoplasmic reticulum (ER)-Golgi secretary pathway. Maciag et al. demonstrated that FGF-1 is exported through a non-classical release pathway involving the formation of a specific multiprotein complex [M. Landriscina, R. Soldi, C. Bagala, I. Micucci, S. Bellum, F. Tarantini, I. Prudovsky, T. Maciag, S100A13 participates in the release of fibroblast growth factor 1 in response to heat shock in vitro, J. Biol. Chem. 276 (2001) 22544-22552; C.M. Carreira, T.M. LaVallee, F. Tarantini, A. Jackson, J.T. Lathrop, B. Hampton, W.H. Burgess, T. Maciag, S100A13 is involved in the regulation of fibroblast growth factor-1 and p40 synaptotagmin-1 release in vitro, J. Biol. Chem. 273 (1998) 22224-22231; T.M. LaValle, F. Tarantini, S. Gamble, C.M. Carreira, A. Jackson, T. Maciag, Synaptotagmin-1 is required for fibroblast growth factor-1 release, J. Biol. Chem. 273 (1998) 22217-22223; C. Bagalá, V. Kolev, A. Mandinova, R. Soldi, C. Mouta, I. Graziani, I, Prudovsky, T. Maciag, The alternative translation of synaptotagmin 1 mediates the non-classical release of FGF1, Biochem. Biophys. Res. Commun. 310 (2003) 1041-1047]. The protein constituents of this complex include FGF-1, S100A13 (a Ca(2+)-binding protein), and the p40 form of synaptotagmin 1 (Syt1). To understand the molecular events in the FGF-1 releasing

  3. Phase equilibria study in binary systems (tetra-n-butylphosphonium tosylate ionic liquid + 1-alcohol, or benzene, or n-alkylbenzene).

    Science.gov (United States)

    Domańska, Urszula; Paduszyński, Kamil

    2008-09-04

    Ambient pressure (solid + liquid) equilibria (SLE) and (liquid + liquid) equilibria (LLE) of binary systems--ionic liquid (IL) tetra- n-butylphosphonium p-toluenesulfonate + 1-alcohol (1-butanol, 1-hexanol, 1-octanol, 1-decanol, or 1-dodecanol), benzene, or n-alkylbenzene (toluene, ethylbenzene, n-propylbenzene)-have been determined by using dynamic method in a broad range of mole fractions and temperatures from 250 to 335 K. For binaries containing alcohol, simple eutectic diagrams were observed with complete miscibility in the liquid phase. Only in the case of system [IL + n-propylbenzene] was mutual immiscibility with an upper critical solution temperature (UCST) with low solubility of the IL in the alcohol and high solubility of the alcohol in the IL detected. The basic thermal properties of pure IL, i.e., melting and glass-transition temperatures as well as enthalpy of melting, have been measured with differential scanning microcalorimetry technique (DSC). Well-known UNIQUAC, Wilson, NRTL, NRTL1, and NRTL2 equations have been fitted to obtain experimental data sets. For the system containing immiscibility gap [IL + n-propylbenzene], parameters of the equations have been derived only from SLE data. As a measure of goodness of correlations, root-mean square deviations of temperature have been used. These experimental results were compared to the previously measured binary systems with tetra- n-butylphosphonium methanesulfonate. Changing anion from methanesulfonate to p-toluenesulfonate decreases solubilities in systems with alcohols and increases the solubilities in binary systems with benzene and alkylbenzenes.

  4. Binary and ternary vapor-liquid equilibrium data of the system ethylbenzene+styrene+3-methyl-N-butylpyridinium tetracyanoborate at vacuum conditions and liquid-liquid equilibrium data of their binary systems

    NARCIS (Netherlands)

    Jongmans, Mark; Hermens, E.; Schuur, Boelo; de Haan, A.B.

    2012-01-01

    In this study, binary LLE data at 313.2, 333.2, and 353.2 K, binary VLE data in the pressure range of 3–30 kPa and ternary VLE data at 5, 10, and 15 kPa have been determined for the system ethylbenzene + styrene + [3-mebupy][B(CN)4]. The IL [3-mebupy][B(CN)4] can increase the relative volatility of

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

    Institute of Scientific and Technical Information of China (English)

    王琳; 曹丰璞; 刘珊珊; 杨浩

    2011-01-01

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

  6. Complex plasmas and colloidal dispersions particle-resolved studies of classical liquids and solids

    CERN Document Server

    Ivlev, Alexei; Morfill, Gregor; Royall, C. Patrick

    2012-01-01

    Complex plasmas and colloidal dispersions represent different states of soft matter. They are complementary in many ways, with the most important being that complex plasmas are virtually undamped at the particle timescales, whereas colloidal dispersions are overdamped and therefore can be brought into equilibrium in a very controlled manner. Otherwise, both fields have similar advantages: fully resolved 3D particle trajectories can easily be visualized, the pair interactions are tunable, and particles can be manipulated individually or collectively. These unique properties allow us to investigate generic processes occurring in liquids or solids at the most fundamental individual particle level. The principal research topics to be addressed in the book include: particle dynamics in liquids, with the emphasis on mesoscopic processes in the supercooled (glassy) state, e.g. dynamical heterogeneity, phase transitions in solids, with particular attention to the evolutionary paths of crystal structure development an...

  7. A universal bubble-growth equation for pure liquids and binary solutions with a non-volatile solute

    Energy Technology Data Exchange (ETDEWEB)

    Miyatake, Osamu [Kyushu Univ., Fukuoka (Japan). Dept. of Chemical Engineering; Tanaka, Itsuo [Gifu Univ. (Japan). Dept. of Biological Production System; Lior, N. [Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Mechanical Engineering and Applied Mechanics

    1996-12-31

    A simple equation suitable for predicting the growth rate of a vapor bubble in uniformly-superheated pure liquids and in binary solutions with a non-volatile solute was developed. The equation also improves on the popular pure-liquid bubble growth expression of Mikie et al. (1970) in that it is valid throughout the bubble growth history, i.e., in the surface-tension-, inertia-, and heat-transfer-controlled regimes, it accounts for bubble growth acceleration effects, and uses correctly-related and variable fluid properties. It was found to agree very well with experimental data for pure water and for aqueous NaCl solutions. As the bubble growth in superheated solutions with a non-volatile solute was found to be quite insensitive to diffusion and non-equilibrium effects in a broad range of common solution properties, this equation is likely to be universally valid for many liquids and solutions. Bubble growth in superheated fluids is of key interest in boiling phenomena in general and in flash evaporation in particular. Applications include a wide variety of separation processes such as water desalination, and energy conversion processes such as ocean-thermal energy conversion, geothermal power generation, and nuclear reactor safety.

  8. Global phase equilibrium calculations: Critical lines, critical end points and liquid-liquid-vapour equilibrium in binary mixtures

    DEFF Research Database (Denmark)

    Cismondi, Martin; Michelsen, Michael Locht

    2007-01-01

    of critical lines. Each calculated point is analysed for stability by means of the tangent plane distance, and the occurrence of an unstable point is used to determine a critical endpoint (CEP). The critical endpoint, in turn, is used as the starting point for constructing the three-phase line. The equations...... for the critical endpoint, as well as for points on the three-phase line, are also solved using Newton's method with temperature, molar volume and composition as the independent variables. The different calculations are integrated into a general procedure that allows us to automatically trace critical lines......, critical endpoints and three-phase lines for binary mixtures with phase diagrams of types from I to V without advance knowledge of the type of phase diagram. The procedure requires a thermodynamic model in the form of a pressure-explicit EOS but is not specific to a particular equation of state. (C) 2006...

  9. The Knight Shift in Liquid Binary Alloys : An Application of Quantum Chemistry in Liquid- and Solid-state Physics

    NARCIS (Netherlands)

    De Hosson, J. Th. M.; Van Der Lugt, W.

    1979-01-01

    We outline a model for calculating the Knight shifts of Na-23 and Li-7 nuclei in liquid sodium-lithium alloys. The model used for the calculations is based on the "multiple-scattering" model (self-consistent scattered wave). Bearing in mind that there exists an uncertainty of about 5-10% in the valu

  10. Do liquid-based preparations of urinary cytology perform differently than classically prepared cases? Observations from the College of American Pathologists Interlaboratory Comparison Program in Nongynecologic Cytology.

    Science.gov (United States)

    Laucirica, Rodolfo; Bentz, Joel S; Souers, Rhona J; Wasserman, Patricia G; Crothers, Barbara A; Clayton, Amy C; Henry, Michael R; Chmara, Beth Anne; Clary, Karen M; Fraig, Mostafa M; Moriarty, Ann T

    2010-01-01

    The cytomorphology of liquid-based preparations in urine cytology is different than classic slide preparations. To compare the performance of liquid-based preparation specimens to classically prepared urine specimens with a malignant diagnosis in the College of American Pathologists Interlaboratory Comparison Program in Nongynecologic Cytology. Participant responses between 2000 and 2007 for urine specimens with a reference diagnosis of high-grade urothelial carcinoma/carcinoma in situ/dysplasia (HGUCA), squamous cell carcinoma, or adenocarcinoma were evaluated. ThinPrep and SurePath challenges were compared with classic preparations (smears, cytospins) for discordant responses. There were 18 288 pathologist, 11 957 cytotechnologist, and 8086 "laboratory" responses available. Classic preparations comprised 90% (n = 34 551) of urine challenges; 9% (n = 3295) were ThinPrep and 1% (n = 485) were SurePath. Concordance to the general category of "positive-malignant" was seen in 92% of classic preparations, 96.5% of ThinPrep, and 94.6% of SurePath challenges (P Liquid-based preparations performed significantly better in urinary cytology challenges when evaluating malignant categories in the College of American Pathologists interlaboratory comparison program. The liquid-based preparation challenges also performed better for the exact reference interpretation of HGUCA, but no difference was observed for adenocarcinoma challenges. Cytotechnologists perform better than pathologists for all slide types, as well as those demonstrating HGUCA. These results suggest that liquid-based preparations facilitate a more accurate diagnosis than conventional preparations.

  11. On the solid–liquid phase diagrams of binary mixtures of even saturated fatty alcohols: Systems exhibiting peritectic reaction

    Energy Technology Data Exchange (ETDEWEB)

    Carareto, Natália D.D. [EXTRAE, Department of Food Engineering, Food Engineering Faculty, University of Campinas, UNICAMP, CEP 13083-862 Campinas, SP (Brazil); Santos, Adenílson O. dos [Social Sciences, Health and Technology Center, University of Maranhão, UFMA, CEP 65900-410 Imperatriz, MA (Brazil); Rolemberg, Marlus P. [Institute of Science and Technology, University of Alfenas, UNIFAL, Rodovia José AurélioVilela, CEP 37715400 Poços de Caldas, MG (Brazil); Cardoso, Lisandro P. [Institute of Physics GlebWataghin, University of Campinas, UNICAMP, C.P. 6165, CEP 13083-970 Campinas, SP (Brazil); Costa, Mariana C. [School of Applied Science, University of Campinas, UNICAMP, CEP 13484-350 Limeira, SP (Brazil); Meirelles, Antonio J.A., E-mail: tomze@fea.unicamp.br [EXTRAE, Department of Food Engineering, Food Engineering Faculty, University of Campinas, UNICAMP, CEP 13083-862 Campinas, SP (Brazil)

    2014-08-10

    Highlights: • SLE of binary mixtures of saturated fatty alcohols was studied. • Experimental data were obtained using DSC and stepscan DSC. • Microscopy and X-ray diffraction used as complementary techniques. • Systems presented eutectic, peritectic and metatectic points. - Abstract: The solid–liquid phase diagrams of the following binary mixtures of even saturated fatty alcohols are reported in the literature for the first time: 1-octanol (C8OH) + 1-decanol (C10OH), 1-decanol + 1-dodecanol (C12OH), 1-dodecanol + 1-hexadecanol (C16OH) and 1-tetradecanol (C14OH) + 1-octadecanol (C18OH). The phase diagrams were obtained by differential scanning calorimetry (DSC) using a linear heating rate of 1 K min{sup −1} and further investigated by using a stepscan DSC method. X-ray diffraction (XRD) and polarized light microscopy were also used to complement the characterization of the phase diagrams which have shown a complex global behavior, presenting not only peritectic and eutectic reactions, but also the metatectic reaction and partial immiscibility on solid state.

  12. A systematic study of segregation for Zn{sub x}Bi{sub 1−x} liquid binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kasem, Md. Riad; Maruf, Md. Helal Uddin [Department of Physics, University of Dhaka, Dhaka (Bangladesh); Bhuiyan, G. M., E-mail: gbhuiyan@du.ac.bd [Department of Theoretical Physics, University of Dhaka, Dhaka (Bangladesh)

    2015-07-21

    We have investigated the segregating properties of Zn{sub x}Bi{sub 1−x} liquid binary alloys through the thermodynamic route that involves both energy of mixing and entropy of mixing. The perturbation approach is used for effective numerical calculations. Results of our calculations agree well with corresponding experimental data for energy and entropy of mixing in the mixed state. The final prediction of segregating properties such as critical concentration and critical temperature also matches reasonably well with experimental data. Most importantly, both energy of mixing and entropy of mixing have produced almost same values for critical concentration and critical temperature of segregation and thus confirm the reliability of the present approach.

  13. Ebulliometric determination and prediction of (vapor + liquid) equilibria for binary and ternary mixtures containing alcohols (C{sub 1}-C{sub 4}) and dimethyl carbonate

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, Hiroyuki, E-mail: matsuda@chem.cst.nihon-u.ac.jp [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Fukano, Makoto; Kikkawa, Shinichiro [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Constantinescu, Dana [Carl von Ossietzky Universitaet Oldenburg, Technische Chemie, D-26111 Oldenburg (Germany); Kurihara, Kiyofumi; Tochigi, Katsumi; Ochi, Kenji [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Gmehling, Juergen [Carl von Ossietzky Universitaet Oldenburg, Technische Chemie, D-26111 Oldenburg (Germany)

    2012-01-15

    Highlights: > The VLE behavior of systems containing dimethyl carbonate (DMC) was investigated. > VLE data for ternary and binary mixtures containing alcohol and DMC were measured. > Several activity coefficient models were used for data reduction or prediction. > Valley line, i.e., distillation boundary, was observed for the ternary mixture. > Residue curves were calculated to investigate composition profile for distillation. - Abstract: (Vapor + liquid) equilibrium (VLE) data for a ternary mixture, namely {l_brace}methanol + propan-1-ol + dimethyl carbonate (DMC){r_brace}, and four binary mixtures, namely an {l_brace}alcohol (C{sub 3} or C{sub 4}) + DMC{r_brace}, containing the binary constituent mixtures of the ternary mixture, were measured at p = (40.00 to 93.32) kPa using a modified Swietoslawski-type ebulliometer. The experimental data for the binary systems were correlated using the Wilson model. The Wilson model was also applied to the ternary system to predict the VLE behavior using parameters from the binary mixtures. The modified UNIFAC (Dortmund) model was also tested for the predictions of the VLE behavior of the binary and ternary mixtures. In addition, the experimental VLE data for the ternary and constituent binary mixtures were correlated using the extended Redlich-Kister (ERK) model, which can completely represent the azeotropic points. For the ternary system, a comparison of the experimental and the predicted or correlated boiling points obtained using the Wilson and ERK models showed that the ERK model is more accurate. The valley line, i.e., the curve which divides the patterns of vapor-liquid tie lines, was found in the (methanol + propan-1-ol + DMC) system. This valley line could be represented by the ERK model. Finally, the composition profile for simple distillation of this ternary mixture was obtained by analysis of the residue curves from the estimated Wilson parameters of the constituent binary mixtures.

  14. On The Validity of the Assumed PDF Method for Modeling Binary Mixing/Reaction of Evaporated Vapor in GAS/Liquid-Droplet Turbulent Shear Flow

    Science.gov (United States)

    Miller, R. S.; Bellan, J.

    1997-01-01

    An Investigation of the statistical description of binary mixing and/or reaction between a carrier gas and an evaporated vapor species in two-phase gas-liquid turbulent flows is perfomed through both theroetical analysis and comparisons with results from direct numerical simulations (DNS) of a two-phase mixing layer.

  15. Computation of Isobaric Vapor-Liquid Equilibrium Data for Binary and Ternary Mixtures of Methanol, Water, and Ethanoic Acid from T, p, x, and HmE Measurements

    Directory of Open Access Journals (Sweden)

    Daming Gao

    2012-01-01

    Full Text Available Vapor-liquid equilibrium (VLE data for the strongly associated ternary system methanol + water + ethanoic acid and the three constituent binary systems have been determined by the total pressure-temperature-liquid-phase composition-molar excess enthalpy of mixing of the liquid phase (p, T, x, HmE for the binary systems using a novel pump ebulliometer at 101.325 kPa. The vapor-phase compositions of these binary systems had been calculated from Tpx and HmE based on the Q function of molar excess Gibbs energy through an indirect method. Moreover, the experimental T, x data are used to estimate nonrandom two-liquid (NRTL, Wilson, Margules, and van Laar model parameters, and these parameters in turn are used to calculate vapor-phase compositions. The activity coefficients of the solution were correlated with NRTL, Wilson, Margules, and van Laar models through fitting by least-squares method. The VLE data of the ternary system were well predicted from these binary interaction parameters of NRTL, Wilson, Margules, and van Laar model parameters without any additional adjustment to build the thermodynamic model of VLE for the ternary system and obtain the vapor-phase compositions and the calculated bubble points.

  16. On The Validity of the Assumed PDF Method for Modeling Binary Mixing/Reaction of Evaporated Vapor in GAS/Liquid-Droplet Turbulent Shear Flow

    Science.gov (United States)

    Miller, R. S.; Bellan, J.

    1997-01-01

    An Investigation of the statistical description of binary mixing and/or reaction between a carrier gas and an evaporated vapor species in two-phase gas-liquid turbulent flows is perfomed through both theroetical analysis and comparisons with results from direct numerical simulations (DNS) of a two-phase mixing layer.

  17. Ultrasonic study of molecular interaction in binary liquid mixtures at 30°C

    Indian Academy of Sciences (India)

    A Ali; A K Nain

    2002-04-01

    Densities ρ and ultrasonic speeds of the binary mixtures of tetrahydrofuran (THF) with 1-butanol and tert-butanol, at 30°C, over the entire composition range were measured. From these data isentropic compressibility, s, intermolecular free length f, relative association A, acoustic impedance , molar sound speed m, deviations in isentropic compressibility s, and excess volume E were calculated. The variation of these parameters with composition of the mixture helps us in understanding the nature and extent of interaction between unlike molecules in the mixtures. Further, theoretical values of ultrasonic speed were evaluated using theories and empirical relations. The relative merits of these theories and relations were discussed.

  18. Faceted to non-faceted transition of solid-liquid interface in binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Yumoto, H.; Hasiguti, R.R.; Kaneko, T.

    1987-03-01

    Jackson's theory on the interfacial roughening transition of pure materials is extended to that of AB binary alloys. In this model, the concept of quasi-dangling bonds is introduced. The bonds are produced by the difference between the number of the interfacial component of nearest neighbors of the A atom and that of the B atom. The roughening temperatures calculated from this model coincide with the faceted - non-faceted transition temperatures obtained experimentally by Miller and Chadwick and by the present authors.

  19. Collective Modes and Elastic Constants of Liquid Al83Cu17 Binary Alloy

    Institute of Scientific and Technical Information of China (English)

    B.Y.Thakore; S.G.Khambholja; P.H.Suthar; N.K.Bhatt; A.R.Jani

    2010-01-01

    @@ The collective dynamics(longitudinal and transverse phonon modes)are studied for aluminum-copper(Al-Cu)binary alloy in terms of the eigen-frequencies of the localized collective excitations.The model pseudopotential formalism is employed using a self-consistent phonon scheme by involving multiple scattering and phonon eigenfrequencies.These frequencies are expressed in terms of many-body correlation functions of atoms as well as of interatomic potential.The important ingredients in the present study are the pair-potential and pair-correlation functions.

  20. Thermodynamic and Acoustic Study on Molecular Interactions in Certain Binary Liquid Systems Involving Ethyl Benzoate

    Directory of Open Access Journals (Sweden)

    B. Nagarjun

    2013-01-01

    Full Text Available Speeds of sound and density for binary mixtures of ethyl benzoate (EB with N,N-dimethylformamide (NNDMF, N,N-dimethyl acetamide (NNDMAc, and N,N-dimethylaniline (NNDMA were measured as a function of mole fraction at temperatures 303.15, 308.15 K, 313.15 K, and 318.15 K and atmospheric pressure. From the experimental data, adiabatic compressibility (βad, intermolecular free length (Lf, and molar volume (V have been computed. The excess values of the above parameters were also evaluated and discussed in light of molecular interactions. Deviation in adiabatic compressibilities and excess intermolecular free length (LfE are found to be negative over the molefraction of ethyl benzoate indicating the presence of strong interactions between the molecules. The negative excess molar volume VE values are attributed to strong dipole-dipole interactions between unlike molecules in the mixtures. The binary data of Δβad, VE, and LfE were correlated as a function of molefraction by using the Redlich-Kister equation.

  1. Transport properties of the binary mixtures of the three organic liquids toluene, methanol, and cyclohexane

    Science.gov (United States)

    Lapeira, E.; Gebhardt, M.; Triller, T.; Mialdun, A.; Köhler, W.; Shevtsova, V.; Bou-Ali, M. M.

    2017-03-01

    We report on the measurements of diffusion (D), thermodiffusion (DT), and Soret (ST) coefficients in binary pairs of the ternary system toluene-methanol-cyclohexane using different instrumental techniques: microgravity measurements (SODI/DCMIX2) on the International Space Station, thermogravitational column in combination with sliding symmetric tubes, optical beam deflection, optical digital interferometry, and counter flow cell. The binary systems have large regions where the mixtures are either not miscible or the Soret coefficient is negative. All the coefficients have been measured over a wide composition range with the exception of a miscibility gap. Results from different instruments and literature data are in favorable agreement over a broad composition range. Additionally, we have carefully measured the physical properties and the optical contrast factors (∂n/∂c ) p ,T and (∂n/∂T ) p ,c. The latter ones were also calculated using the Looyenga equation. The measurements in methanol-cyclohexane mixture revealed a decay of the diffusion coefficient when approaching the miscibility gap. We have interpreted this in the spirit of the pseudospinodal concept.

  2. Mass Density Fluctuations in Quantum and Classical descriptions of Liquid Water

    Energy Technology Data Exchange (ETDEWEB)

    Galib, Mirza; Duignan, Timothy TS; Misteli, Yannick B.; Baer, Marcel D.; Schenter, Gregory K.; Hutter, Jürg; Mundy, Christopher J.

    2017-06-28

    First principles molecular dynamics simulation protocol is established using revised functional of Perdew-Burke-Ernzerhof (revPBE) in conjunction with Grimme's third generation of dispersion (D3) correction to describe properties of water at ambient conditions. This study also demonstrates the consistency of the structure of water across both isobaric (NpT) and isothermal (NVT) ensembles. Going beyond the standard structural benchmarks for liquid water, we compute properties that are connected to both local structure and mass density fluctuations that are related to concepts of solvation and hydrophobicity. We directly compare our revPBE results to the Becke-Lee-Yang-Parr (BLYP) plus Grimme dispersion corrections (D2) and both the empirical fixed charged model (SPC/E) and many body interaction potential model (MB-pol) to further our understanding of how the computed properties herein depend on the form of the interaction potential.

  3. Perturbation theory of structure in classical liquid mixtures: Application to metallic systems near phase separation. Ph.D. Thesis

    Science.gov (United States)

    Henderson, R. L.

    1974-01-01

    The partial structure factors of classical simple liquid mixtures near phase separation are dicussed. The theory is developed for particles interacting through pair potentials, and is thus appropriate both to insulating fluids, and also to metallic systems if these may be described by an effective ion-ion pair interaction. The motivation arose from consideration of metallic liquid mixtures, in which resistive anomalies have been observed near phase separation. A mean field theory correction appropriate to 3 pair potential for the effects of correlated motions in the reference fluid is studied. The work is cast in terms of functions which are closely related to the direct correlation functions of Ornstein and Zernike. The results are qualitatively in accord with physical expectations. Quantitative agreement with experiment seems to turn on the selection of the hard core reference potential in terms of the metallic effective pair potential. It is suggested that the present effective pair potentials are perhaps not properly used to calculate the metallic structure factors at long wavelength.

  4. Isolation and purification of diastereoisomeric flavonolignans from silymarin by binary-column recycling preparative high-performance liquid chromatography.

    Science.gov (United States)

    Zhao, Weiquan; Yang, Guang; Zhong, Fanyi; Yang, Nan; Zhao, Xin; Qi, Yunpeng; Fan, Guorong

    2014-09-01

    Silymarin extracted from Silybum marianum (L.) Gaertn consists of a large number of flavonolignans, of which diastereoisomeric flavonolignans including silybin A and silybin B, and isosilybin A and isosilybin B are the main bioactive components, whose preparation from the crude extracts is still a difficult task. In this work, binary-column recycling preparative high-performance liquid chromatography systems without sample loop trapping, where two columns were switched alternately via one or two six-port switching valves, were established and successfully applied to the isolation and purification of the four diastereoisomeric flavonolignans from silymarin. The proposed system showed significant advantages over conventional preparative high-performance liquid chromatography with a single column in increasing efficiency and reducing the cost. To obtain the same amounts of products, the proposed system spends only one tenth of the time that the conventional system spends, and needs only one eleventh of the solvent that the conventional system consumes. Using the proposed system, the four diastereoisomers were successfully isolated from silymarin with purities over 98%.

  5. Effect of gold nanoparticles on structure and dynamics of binary Lennard-Jones liquid: Wave-vector space analysis

    Science.gov (United States)

    Separdar, L.; Davatolhagh, S.

    2016-12-01

    Molecular dynamics simulations at constant (N , V , T) are used to study the mutual effects of gold nanoparticles on the structure and dynamics of Kob-Andersen binary Lennard-Jones (BLJ) liquid within the framework of mode coupling theory of dynamic glass transition in the reciprocal space. The results show the 'softening' effect of the gold nanoparticles on the liquid dynamics in terms of (i) reducing the mode coupling crossover temperature Tc with respect to that of the bulk BLJ (i.e. BLJ without nanoparticles), (ii) decreasing the time interval of β-relaxation, and (iii) decreasing the exponent γ characterizing the power-law behavior of the α-relaxation time. This softening effect is explained in terms of the van der Waals attraction between the gold atoms comprising the nanoparticle and the BLJ host atoms, such that adsorption of host atoms onto the nanoparticle surface creates more space or free-volume for the other atoms to diffuse. By the same token interactions of purely excluded-volume-type are expected to result in the opposite effect. It is also noted that, much unlike BLJ host particles, the dynamics of gold nanoparticles is much less dependent on the wave-vector and that it exhibits a nearly exponential behavior in the α-relaxation regime.

  6. A comparative study of non-linearity parameter for binary liquid mixtures

    Indian Academy of Sciences (India)

    J D Pandey; Ranjan Dey; Vinay Sanguri; Jyotsna Chhabra; Tanuja Nautiyal

    2005-09-01

    The present investigation comprises of theoretical evaluation of acoustic non-linearity parameter, / for equimolar binary mixtures, viz. chlorobenzene or 1-chloronaphthalene with a series of normal alkanes (n-C, = 6, 8, 10, 12, 14, 16), and with a series of highly branched alkanes (br-C, = 6, 8, 12, 16), viz. 2,2-dimethylbutane (br-C6), 2,2,4-trimethylpentane (br-C8), 2,2,4,6,6-pentamethylheptane (br-C12) and 2,2,4,4,6,8,8-heptamethylnonane (br-C16). Tong and Dong method, ther- moacoustical method, Hartmann relation and Ballou relation have been employed to evaluate /. A comparative study of / values obtained from the aforementioned methods has been made. The results are discussed on the basis of structural orientations of normal and branched alkanes.

  7. Evidencing molecular associations in binary liquid mixtures via photothermal measurements of thermophysical parameters

    NARCIS (Netherlands)

    Neamtu, C.; Dadarlat, D.; Chirtoc, M.; Sahraoui, A.H.; Longuemart, S.; Bicanic, D.D.

    2006-01-01

    The back photopyroelectric (PPE) configuration, with opaque sample and thermally thick sample and sensor, was applied in order to obtain room temperature values of the thermal diffusivity of some liquid mixtures. The methodology is based on a sample's thickness scan, and not on a frequency scan as i

  8. GLOBAL EXISTENCE OF CLASSICAL SOLUTION FOR A VISCOUS LIQUID-GAS TWO-PHASE MODEL WITH MASS-DEPENDENT VISCOSITY AND VACUUM

    Institute of Scientific and Technical Information of China (English)

    Zhen WANG; Hui ZHANG

    2014-01-01

    In this work, we obtain the global existence and uniqueness of classical solu-tions to a viscous liquid-gas two-phase model with mass-dependent viscosity and vacuum in one dimension, where the initial vacuum is allowed. We get the upper and lower bounds of gas and liquid masses n and m by the continuity methods which we use to study the compressible Navier-Stokes equations.

  9. Volumetric and transport properties of binary liquid mixtures of N-methylacetamide with lactones at temperatures (303.15 to 318.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Boodida, Sathyanarayana; Bachu, Ranjith Kumar; Patwari, Murali Krishna [Department of Chemistry, Kakatiya University, Warangal 506 009 (India); Nallani, Satyanarayana [Department of Chemistry, Kakatiya University, Warangal 506 009 (India)], E-mail: ns_narayana@yahoo.com

    2008-09-15

    The values of density ({rho}), viscosity ({eta}) and speed of sound (u) have been measured for binary liquid mixtures of {gamma}-butyrolactone (GBL), {delta}-valerolactone (DVL), and {epsilon}-caprolactone (ECL) with N-methylacetamide (NMA) over the whole composition range at T = (303.15 to 318.15) K and atmospheric pressure. From these data, excess molar volume (V{sup E}), deviation in viscosity ({delta}{eta}), and deviation in isentropic compressibility ({delta}{kappa}{sub s}), are calculated. The results are fitted to a Redlich-Kister type polynomial equation to derive binary coefficients and standard deviations.

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

    Institute of Scientific and Technical Information of China (English)

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

    2011-01-01

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

  11. Non-equilibrium concentration fluctuations in binary liquids with realistic boundary conditions.

    Science.gov (United States)

    Ortiz de Zárate, J M; Kirkpatrick, T R; Sengers, J V

    2015-09-01

    Because of the spatially long-ranged nature of spontaneous fluctuations in thermal non-equilibrium systems, they are affected by boundary conditions for the fluctuating hydrodynamic variables. In this paper we consider a liquid mixture between two rigid and impervious plates with a stationary concentration gradient resulting from a temperature gradient through the Soret effect. For liquid mixtures with large Lewis and Schmidt numbers, we are able to obtain explicit analytical expressions for the intensity of the non-equilibrium concentration fluctuations as a function of the frequency ω and the wave number q of the fluctuations. In addition we elucidate the spatial dependence of the intensity of the non-equilibrium fluctuations responsible for a non-equilibrium Casimir effect.

  12. Marangoni Bursting: Evaporation-Induced Emulsification of Binary Mixtures on a Liquid Layer

    Science.gov (United States)

    Keiser, L.; Bense, H.; Colinet, P.; Bico, J.; Reyssat, E.

    2017-02-01

    Adjusting the wetting properties of water through the addition of a miscible liquid is commonly used in a wide variety of industrial processes involving interfaces. We investigate experimentally the evolution of a drop of water and volatile alcohol deposited on a bath of oil: The drop spreads and spontaneously fragments into a myriad of minute droplets whose size strongly depends on the initial concentration of alcohol. Marangoni flows induced by the evaporation of alcohol play a key role in the overall phenomenon. The intricate coupling of hydrodynamics, wetting, and evaporation is well captured by analytical scaling laws. Our scenario is confirmed by experiments involving other combinations of liquids that also lead to this fascinating phenomenon.

  13. Influence of evaporation on a thin binary liquid film flowing down a heated inclined plate

    Science.gov (United States)

    Kamrak, Juthamas; Scheid, Benoit; Colinet, Pierre

    2012-11-01

    We investigate the evolution of a two-component liquid film (here consisting of glycerine in water) falling down a heated plate, while water evaporates (glycerine is assumed to be non-volatile). The liquid phase is separated from pure water vapour by a deformable interface. We study the influence of both heat and mass transfer on the evolution of the liquid film. The temperature and concentration variations due to the evaporation of the solvent induce thermal and solutal Marangoni stresses on the free surface, thus affecting the evolution of the film. The mathematical model is developed by combining the lubrication theory with a weighted residuals approach. We obtain a set of coupled equations for the evolution of the film thickness, the velocity, the temperature and the concentration fields, at first-order. Stationary solutions are then calculated for different control parameters and show an intricate dependence of the different variables in the transition region where the evaporation flux reaches its maximum. Supported by FRIA, by the Marie Curie MULTIFLOW Network, and by FRS-FNRS.

  14. Closed-loop phase diagrams, vaporization, and multicriticality in binary liquid mixtures

    Science.gov (United States)

    Caflisch, Robert G.; Walker, James S.

    1983-09-01

    The coupled Potts-Ising models of Walker and Vause, which successfully describe closed-loop phase diagrams in hydrogen-bonding mixtures, are generalized to encompass the vapor phase, and are studied using position-space renormalization-group techniques. Global phase diagrams are generated, exhibiting such features as miscibility-immiscibility criticality, liquid-vapor critical points, critical end points, and bicritical and tricritical points. In addition, new types of phase diagrams are found, involving upper and lower azeotropes, for example, which are expected to be physically realizable in experimental systems.

  15. Experimental determination of the (vapor + liquid) equilibrium data of binary mixtures of fatty acids by differential scanning calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Matricarde Falleiro, Rafael M. [LPT, Department of Chemical Processes (DPQ), School of Chemical Engineering, University of Campinas (UNICAMP), P.O. Box 6066, 13083-970 Campinas, SP (Brazil); Meirelles, Antonio J.A. [EXTRAE, Department of Food Engineering (DEA), School of Food Engineering, University of Campinas (UNICAMP), P.O. Box 6121, 13083-862 Campinas, SP (Brazil); Kraehenbuehl, Maria A., E-mail: mak@feq.unicamp.b [LPT, Department of Chemical Processes (DPQ), School of Chemical Engineering, University of Campinas (UNICAMP), P.O. Box 6066, 13083-970 Campinas, SP (Brazil)

    2010-01-15

    (Vapor + liquid) equilibrium (VLE) data for three binary mixtures of saturated fatty acids were obtained by differential scanning calorimetry (DSC). However, changes in the calorimeter pressure cell and the use of hermetic pans with holes (phi = 250 mm) in the lids were necessary to make it possible to apply this analytical technique, obtaining accurate results with smaller samples and shorter operational times. The systems evaluated in this study were: myristic acid (C{sub 14:0}) + palmitic acid (C{sub 16:0}), myristic acid (C{sub 14:0}) + stearic acid (C{sub 18:0}), and palmitic acid (C{sub 16:0}) + stearic acid (C{sub 18:0}), all measured at 50 mm Hg and with mole fractions between 0.0 and 1.0 in relation to the most volatile component of each diagram. The fugacity coefficients for the components in the vapor phase were calculated using the Hayden and O'Connell method [J.G. Hayden, J.P. O'Connell, Ind. Eng. Chem. Process Design Develop. 14 (3) (1975) 209-216] and the activity coefficients for the liquid phase were correlated with the traditional g{sup E} models (NRTL [H. Renon, J.M. Prausnitz, Aiche J. 14 (1968) 135-144], UNIQUAC [D.S. Abrams, J.M. Prausnitz, Aiche J. 21 (1975) 116-128], and Wilson [J.M. Prausnitz, N.L. Linchtenthaler, E.G. Azevedo, Molecular Thermodynamics of Fluid-phase Equilibria, River-Prentice Hall, Upper Saddle, 1999]). The sets of parameters were then compared in order to determine which adjustments best represented the VLE.

  16. Analysis of stability of a planar solid-liquid interface in a dilute binary alloy

    Science.gov (United States)

    Laxmanan, V.

    1990-01-01

    This paper reconsiders the question of stability of a planar solid-liquid interface in an undercooled alloy melt without making the restrictive assumption of no heat flow in the solid (i.e., Gs = 0). The results of this analysis indicate that, provided the thermal gradient on the solid side of the interface, Gs, is positive, stability can be achieved in an undercooled alloy melt for growth rates R greater than Ra (where Ra is the absolute stability limit of Mullins and Sekerka, 1964). Thus, the absolute stability criterion for steady-state planar growth in an undercooled alloy melt is the same as derived earlier by Mullins and Sekerka for directional solidification. Relaxing the restrictive assumption of Gs = 0 also reveals that there is a regime of stability for low growth rates and low supercoolings.

  17. The solid-liquid phase diagrams of binary mixtures of even saturated fatty acids differing by six carbon atoms

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Mariana C. [LPT, Department of Chemical Process, School of Chemical Engineering, University of Campinas, UNICAMP, P.O. Box 6066, 13083-970, Campinas-SP (Brazil); EXTRAE, Department of Food Engineering, Faculty of Food Engineering, University of Campinas, UNICAMP, P.O. Box 6121, 13083-862, Campinas-SP (Brazil); CICECO, Departamento de Quimica da Universidade de Aveiro, 3810-193 Aveiro (Portugal); Rolemberg, Marlus P. [DETQI, Department of Chemical Technology, Federal University of Maranhao (UFMA), Sao Luis, Maranhao (Brazil); Meirelles, Antonio J.A. [EXTRAE, Department of Food Engineering, Faculty of Food Engineering, University of Campinas, UNICAMP, P.O. Box 6121, 13083-862, Campinas-SP (Brazil); Coutinho, Joao A.P. [CICECO, Departamento de Quimica da Universidade de Aveiro, 3810-193 Aveiro (Portugal); Kraehenbuehl, M.A., E-mail: mak@feq.unicamp.br [LPT, Department of Chemical Process, School of Chemical Engineering, University of Campinas, UNICAMP, P.O. Box 6066, 13083-970, Campinas-SP (Brazil)

    2009-12-10

    This study was aimed at using the solid-liquid phase diagrams for three binary mixtures of saturated fatty acids, especially the phase transitions below the liquidus line. These mixtures are compounded by caprylic acid (C{sub 8:0}) + myristic acid (C{sub 14:0}), capric acid (C{sub 10:0}) + palmitic acid (C{sub 16:0}), lauric acid (C{sub 12:0}) + stearic acid (C{sub 18:0}), differing by six carbon atoms between carbon chains. The phase diagrams were obtained by differential scanning calorimetry (DSC). The polarized light microscopy was used to complement the characterization for a full grasp of the phase diagram. Not only do these phase diagrams present peritectic and eutectic reactions, but also metatectic reactions, due to solid-solid phase transitions common, in fatty acids. These findings have contributed to the elucidation of the phase behavior of these important biochemical molecules with implications in various industrial production.

  18. The solid-liquid phase diagrams of binary mixtures of consecutive, even saturated fatty acids: differing by four carbon atoms.

    Science.gov (United States)

    Costa, Mariana C; Sardo, Mariana; Rolemberg, Marlus P; Ribeiro-Claro, Paulo; Meirelles, Antonio J A; Coutinho, João A P; Krähenbühl, M A

    2009-01-01

    The complete solid-liquid phase diagrams for four binary mixtures of saturated fatty acids are presented, for the first time, in this work. These mixtures are formed by caprylic acid (C(8:0))+lauric acid (C(12:0)), capric acid (C(10:0))+myristic acid (C(14:0)), lauric acid (C(12:0))+palmitic acid (C(16:0)) and myristic acid (C(14:0))+stearic acid (C(18:0)). The phase diagrams were obtained by differential scanning calorimetry (DSC) and X-ray diffraction (XRD). FT-Raman spectrometry and polarized light microscopy were used to complement the characterization for a complete understanding of the phase diagram. All of the phase diagrams here reported show the same global behavior that is far more complex than previously accepted. They present not only peritectic and eutectic reactions, but also metatectic reactions, due to solid-solid phase transitions common in fatty acids, and regions of solid solution not previously reported. This work contributes to the elucidation of the phase behavior of these important biochemical molecules with implications in various industrial applications.

  19. Laser photolysis study of anthraquinone in binary mixtures ofionic liquid [bmim][PF6] and organic solvent

    Directory of Open Access Journals (Sweden)

    Side Yao

    2006-12-01

    Full Text Available Photochemical properties of the ionic liquid (RTIL 1-butyl-3-methylimidazoliumhexafluorophosphate [bmim][PF6] and its binary mixed solutions with organic solvent(DMF and MeCN were investigated by laser photolysis at an excitation wavelength of 355nm, using anthraquinone (AQ as a probe molecule. It was indicated that the triplet excitedstate of AQ (3AQ* can abstract hydrogen from [bmim][PF6]. Moreover, along with thechange of the ratio of RTIL and organic solvent, the reaction rate constant changes regularly.Critical points were observed at volume fraction VRTIL = 0.2 for RTIL/MeCN and VRTIL =0.05 for RTIL/DMF. For both systems, before the critical point, the rate constant increasesrapidly with increasing VRTIL; however, it decreases obviously with VRTIL after the criticalpoint. We conclude that the concentration dependence is dominant at lower VRTIL, while theviscosity and phase transformation are dominant at higher VRTIL for the effect of ionic liquidon the decay of rate constant.

  20. Vapor-liquid, liquid-liquid and vapor-liquid-liquid equilibrium of binary and multicomponent systems with MEG modeling with the CPA EoS and an EoS/G(E) model

    DEFF Research Database (Denmark)

    Folas, Georgios; Kontogeorgis, Georgios; Michelsen, Michael Locht;

    2006-01-01

    associating and polar molecules, an EoS/G(E) model is also tested, both for binary and multicomponent systems, and compared to the performance of the CPA EoS. It is found that the performance of CPA is overall superior while using fewer interaction parameters than the EoS/G(E) approach. (c) 2006 Elsevier B.V...

  1. Phase Diagram of Binary Mixture E7:TM74A Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Serafin Delica

    1999-12-01

    Full Text Available Although there are many liquid crystalline materials, difficulty is often experienced in obtaining LCs that are stable and has a wide mesophase range. In this study, mixtures of two different LCs were used to formulate a technologically viable LC operating at room temperature. Nematic E7(BDH and cholesteric TM74A were mixed at different weight ratios at 10% increments. Transition temperatures were determined via Differential Scanning Calorimetry and phase identification was done using Optical Polarizing Microscopy. The phase diagram showed the existence of three different phases for the temperature range of 10-80°C. Mixtures with 0-20% E7 exhibit only the cholesteric-nematic mesophase, which could be due to the mixture's being largely TM74A and its behavior in the temperature range considered is similar to the behavior of pure TM74A. With an increase in the concentration of E7, the smectic phase of the pure cholesteric was enhanced, as seen from the increased transition to the cholesteric-nematic phase and a broader smectic range. The cholesteric-nematic to isotropic transition increased as the nematic concentration increases, following the behavior expected from LC mixtures. For mixtures that are largely nematic (more than 50% E7, the smectic phase has vanished and the cholesteric-nematic phase dominated from 30-60°C.

  2. Binary and Ternary Vapor-Liquid Equilibrium Data of the System (Ethylbenzene+Styrene+4-Methyl-N-butylpyridinium Tetrafluoroborate) at Vacuum Conditions and Liquid-Liquid Equilibrium Data of Their Binary Systems

    NARCIS (Netherlands)

    Jongmans, Mark; Raijmakers, M.; Schuur, Boelo; de Haan, A.B.

    2012-01-01

    Ethylbenzene and styrene are currently separated by ordinary fractional distillation, which is challenging due the low relative volatility of this mixture of 1.3 to 1.4. Extractive distillation is a promising alternative to save capital and operational expenditures. Recently, ionic liquids (ILs) hav

  3. Double relaxation phenomena of associated binary polar liquid mixture in non-polar solvent under high frequency electric field

    Energy Technology Data Exchange (ETDEWEB)

    Sahoo, S. [Department of Electronics and Instrumentation Engg (India)], E-mail: swapansit@yahoo.co.in; Sit, S.K. [Department of Physics, Dr. Meghnad Saha Institute of Technology, Debhog, Haldia, Purba Medinipore, West Bengal 721657 (India)

    2009-06-25

    Double relaxation times {tau}{sub 2} and {tau}{sub 1} due to whole molecular rotation and the flexible parts of the binary polar liquid mixture (jk) 3-bromoaniline and 1-propanol dissolved in non-polar solvent (i) benzene were estimated in terms of measured real {chi}{sup '}{sub ijk}, imaginary {chi}{sup ''}{sub ijk} parts of complex high frequency orientational susceptibility {chi}{sub ijk}{sup *} and {chi}{sub 0ijk} which is real at 20, 30, 40 and 47 deg. C experimental temperatures for 0.0, 0.25, 0.50,0.75 and 1.00 mole fractions x{sub j}'s of 1-propanol under 9.1 GHz electric field. The slopes {omega}({tau}{sub 2} + {tau}{sub 1}) and intercepts {omega}{sup 2}{tau}{sub 2}{tau}{sub 1} of the analytical straight line equations used to estimate {tau}{sub 2} and {tau}{sub 1} were derived from Bergmann's equation [U. Saha, S.K. Sit, R.C. Basak, S. Acharyya, J. Phys. D: Appl. Phys. 27 (1994) 596] based on two Debye type dispersion model of binary polar mixture. The systems 3-bromoaniline in C{sub 6}H{sub 6} and 1-propanol in C{sub 6}H{sub 6} show {tau}{sub 2} and {tau}{sub 1} only at 47 deg. C temperature like 3-bromoaniline + 1-propanol in C{sub 6}H{sub 6} at 20 and 47 deg. C temperatures for 0.25 and 0.50 mole fractions x{sub j}'s of 1-propanol. The binary polar mixture for x{sub j} = 0.75 of 1-propanol is an exception exhibiting double relaxation times at all the experimental temperatures. The relative contributions c{sub 1} and c{sub 2} due to {tau}{sub 1} and {tau}{sub 2} for eight non-rigid systems were calculated from Froehlich's equation as well as graphical plots of {chi}{sup '}{sub ijk}/{chi}{sub 0ijk}-w{sub jk} and {chi}{sup ''}{sub ijk}/{chi}{sub 0ijk}-w{sub jk} curve at w{sub jk}{yields}0. c{sub 1} and c{sub 2} are positive for Froehlich's method whereas most of the c{sub 2}'s are negative for graphical method. The dipole moments {mu}{sub 2} and {mu}{sub 1} for all the systems are calculated from

  4. Thermodynamical and structural properties of binary mixtures of imidazolium chloride ionic liquids and alcohols from molecular simulation

    Science.gov (United States)

    Raabe, Gabriele; Köhler, Jürgen

    2008-10-01

    We have performed molecular dynamics simulations to determine the densities, excess energies of mixing, and structural properties of binary mixtures of the 1-alkyl-3-methylimidazolium chloride ionic liquids (ILs) [amim][Cl] and ethanol and 1-propanol in the temperature range from 298.15to363.15K. As in our previous work [J. Chem. Phys. 128, 154509 (2008)], our simulation studies are based on a united atom model from Liu et al. [Phys. Chem. Chem. Phys. 8, 1096 (2006)] for the 1-ethyl- and 1-butyl-3-methylimidazolium cations [emim+] and [bmim+], which we have extended to the 1-hexyl-3-methylimidazolium [hmim+] cation and combined with parameters of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] for the chloride anion [Cl-] and the force field by Khare et al. for the alcohols [J. Phys. Chem. B 108, 10071 (2004)]. With this, we provide both prediction for the densities of the mixtures that have mostly not been investigated experimentally yet and a molecular picture of the interactions between the alcohol molecules and the ions. The negative excess energies of all mixtures indicate an energetically favorable mixing of [amim][Cl] ILs and alcohols. To gain insight into the nonideality of the mixtures on the molecular level, we analyzed their local structures by radial and spatial distribution functions. These analyses show that the local ordering in these mixtures is determined by strong hydrogen-bond interactions between the chloride anion and the hydroxyls of the alcohols, enhanced interactions between the anion and the charged domain of the cation, and an increasing aggregation of the nonpolar alkyl tails of the alcohols and the cations with increasing cation size, which results in a segregation of polar and nonpolar domains.

  5. Predicting the vapor-liquid equilibrium of hydrocarbon binary mixtures and polymer solutions using predetermined pure component parameters

    Energy Technology Data Exchange (ETDEWEB)

    Ryu, Sang Kyu [Division of Chemical Engineering and Molecular Thermodynamics Laboratory, Hanyang University, Seoul 133-791 (Korea, Republic of); Bae, Young Chan, E-mail: ycbae@hanyang.ac.kr [Division of Chemical Engineering and Molecular Thermodynamics Laboratory, Hanyang University, Seoul 133-791 (Korea, Republic of)

    2012-05-25

    Highlights: Black-Right-Pointing-Pointer We have developed a close-packed lattice model for chain-like molecules. Black-Right-Pointing-Pointer The chain length dependence determined from Monte-Carlo simulation results were used. Black-Right-Pointing-Pointer To consider the volume effect, hole theory and two mixing steps were used. Black-Right-Pointing-Pointer A lattice fluid equation of state (LF-EoS) is presented for VLE of hydrocarbon mixtures. Black-Right-Pointing-Pointer Correlation of pure polymer solutions data with use of the LF-EoS. - Abstract: In our previous work, a new close-packed lattice model was developed for multi-component system of chain fluids with taking the chain length dependence from Monte-Carlo (MC) simulation results into account. In this work, we further extend this model to describe pressure, volume and temperature (PVT) properties, such as vapor-liquid equilibrium (VLE). To consider the effect of pressure on the phase behavior, the volume change effect is taken into account by introducing holes into the incompressible lattice model with two mixing steps. The corresponding new lattice fluid equation of state (LF-EoS) is applied to predict the thermodynamic properties of pure and binary mixtures of hydrocarbons as well as pure polymer solutions. The results of the proposed model are compared to other predictive approaches based on VLE calculations using predetermined pure model parameters without further adjustment. Thermodynamic properties predicted using the method developed in this work are consistent with the experimental data.

  6. Molecular dynamics studies on liquid-phase dynamics and structures of four different fluoropropenes and their binary mixtures with R-32 and CO2.

    Science.gov (United States)

    Raabe, Gabriele

    2014-01-01

    Fluoropropenes such as R-1234yf or R-1234ze(E) have attracted attention as low GWP (global warming potential) refrigerants, both as pure compounds but also to an increasing extent as components in refrigerant blends. In our earlier work [Raabe, G.; Maginn, E. J. J. Phys. Chem. B 2010, 114, 10133-10142 and Raabe, G. J. Phys. Chem. B 2012, 116, 5744-5751], we have introduced a transferable force field for different fluoropropene compounds. This molecular model has already been applied for predictive molecular simulation studies on the vapor-liquid phase equilibria in binary mixtures of the tetrafluoropropenes R-1234yf or R-1234ze(E) with the difluoromethane R-32 and CO2. In this work we present molecular dynamics simulations on the liquid phase properties of the pure fluoropropenes R-1234yf, R-1234ze, R-1234ze(E), and R-1216 and their binary mixtures with CO2 and R-32. Our study covers temperatures from 273 to 313 K, pressures up to 3.5 MPa, and different mixture compositions. We provide predictions on the densities and transport properties of the pure compounds and the binary mixtures to complement experimental data. Additionally, we have analyzed radial and spatial distribution functions in the systems to gain insight into their microscopic structures and preferred interaction sites.

  7. The potential of incorporation of binary salts and ionic liquid in P(VP-co-VAc) gel polymer electrolyte in electrochemical and photovoltaic performances

    Science.gov (United States)

    Ming, Ng Hon; Ramesh, S.; Ramesh, K.

    2016-06-01

    In this study, dye-sensitized solar cells (DSSCs) has been assembled with poly(1-vinylpyrrolidone-co-vinyl acetate) (P(VP-co-VAc)) gel polymer electrolytes (GPEs) which have been incorporated with binary salt and an ionic liquid. The potential of this combination was studied and reported. The binary salt system GPEs was having ionic conductivity and power conversion efficiency (PCE) that could reach up to 1.90 × 10‑3 S cm‑1 and 5.53%, respectively. Interestingly, upon the addition of the ionic liquid, MPII into the binary salt system the ionic conductivity and PCE had risen steadily up to 4.09 × 10‑3 S cm‑1 and 5.94%, respectively. In order to know more about this phenomenon, the electrochemical impedance studies (EIS) of the GPE samples have been done and reported. Fourier transform infrared studies (FTIR) and thermogravimetric analysis (TGA) have also been studied to understand more on the structural and thermal properties of the GPEs. The Nyquist plot and Bodes plot studies have been done in order to understand the electrochemical properties of the GPE based DSSCs and Tafel polarization studies were done to determine the electrocatalytic activity of the GPE samples.

  8. Analysis of structural correlations in a model binary 3D liquid through the eigenvalues and eigenvectors of the atomic stress tensors

    CERN Document Server

    Levashov, Valentin A

    2015-01-01

    It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These atomic stress tensors can be used to describe liquids' structures and to investigate the connection between structural and dynamic properties. In particular, atomic stresses allow to address atomic scale correlations relevant to the Green-Kubo expression for viscosity. Previously correlations between the atomic stresses of different atoms were studied using the Cartesian representation of the stress tensors or the representation based on spherical harmonics. In this paper we address structural correlations in a model 3D binary liquid using the eigenvalues and eigenvectors of the atomic stress tensors. Thus correlations relevant to the Green-Kubo expression for viscosity are interpreted in a simple geometric way. On decrease of temperature the changes in the relevant stress correlation function between different atoms are significantly more pronounced than the changes in the pair density function. We demonst...

  9. Measurement and correlation of vapor-liquid equilibria for a binary system containing 1-butyl-3-methylimidazolium tridecafluorohexyl sulfonate and carbon dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Soon Kang; Park, Yoon Kook [Hongik University, Sejong (Korea, Republic of)

    2016-01-15

    Using a high-pressure variable-volume view cell, the vapor-liquid equilibria of the binary system CO{sub 2} and 1-butyl-3-methylimidazolium tridecafluorohexylsulfonate ([BMIM][TDfO]) were determined. The CO{sub 2} mole fraction ranged from 0.104 to 0.952 over a temperature range of 298.2-323.2 K. Both the Peng-Robinson and Soave-Redlich- Kwong equations of state were applied with two different mixing rules to correlate with the experimentally obtained results. Increasing the alkyl chain length in perfluorinated sulfonate anion mother structure from methyl to hexyl markedly increased the CO{sub 2} solubility. To investigate the effect of the number of fluorine atoms in the anion on the phase behavior of imidazolium-based ionic liquid, these experimental results were then compared with those reported in previous experimental studies of 1-alkyl-3-methylimidazolium cations-including ionic liquid+CO{sub 2} binary system.

  10. Isothermal vapour–liquid equilibria in cyclohexanone + dichloroalkane binary mixtures at temperatures from 298.15 to 318.15 K

    Directory of Open Access Journals (Sweden)

    DANA DRAGOESCU

    2011-02-01

    Full Text Available The vapour pressures of binary mixtures of cyclohexanone + dichloroalkane (1,3-dichloropropane and 1,4-dichlorobutane were measured at temperatures between 298.15 and 318.15 K. The vapour pressures vs. liquid phase composition data were used to calculate the activity coefficients of the two components and the excess molar Gibbs energies GE for the mixtures, using the Barker method and the Redlich–Kister, Wilson, NRTL and UNIQUAC equations, taking into account the vapour phase imperfection in terms of the 2nd virial coefficient. No significant difference between the GE values obtained with these equations was observed.

  11. Comprehensive study of efficient dye-sensitized solar cells based on the binary ionic liquid electrolyte by modifying with additives and iodine

    Science.gov (United States)

    Mo, Ao-qiang; Cao, Da-peng; Wang, Wu-yang; Li, Xue-yan; Mi, Bao-xiu; Gao, Zhi-qiang; Liang, Zhong-cheng

    2017-07-01

    The photovoltaic performance of dye-sensitized solar cells (DSSCs) is enhanced by modifying the binary room temperature ionic liquid (RTIL) electrolyte with additives and iodine. The average photoelectric conversion efficiency ( PCE) of 6.39% is achieved. Through electrochemical impedance spectroscopy (EIS), cyclic voltammetry scans and incident photon-to-current conversion efficiency ( IPCE) data, the working principles are analyzed. The enhancement is mainly attributed to the improvement of short circuit current which is caused by the reduction of overall internal resistance of the devices. Durability tests are measured at room temperature, and the long-term stability performance can be maintained.

  12. Measuring the stellar wind parameters in IGR J17544-2619 and Vela X-1 constrains the accretion physics in Supergiant Fast X-ray Transient and classical Supergiant X-ray Binaries

    CERN Document Server

    Gimenez-Garcia, A; Torrejon, J M; Oskinova, L; Martinez-Nunez, S; Hamann, W -R; Rodes-Roca, J J; Gonzalez-Galan, A; Alonso-Santiago, J; Gonzalez-Fernandez, C; Bernabeu, G; Sander, A

    2016-01-01

    Classical Supergiant X-ray Binaries (SGXBs) and Supergiant Fast X-ray Transients (SFXTs) are two types of High-mass X-ray Binaries (HMXBs) that present similar donors but, at the same time, show very different behavior in the X-rays. The reason for this dichotomy of wind-fed HMXBs is still a matter of debate. Among the several explanations that have been proposed, some of them invoke specific stellar wind properties of the donor stars. Only dedicated empiric analysis of the donors' stellar wind can provide the required information to accomplish an adequate test of these theories. However, such analyses are scarce. To close this gap, we perform a comparative analysis of the optical companion in two important systems: IGR J17544-2619 (SFXT) and Vela X-1 (SGXB). We analyse the spectra of each star in detail and derive their stellar and wind properties. We compare the wind parameters, giving us an excellent chance of recognizing key differences between donor winds in SFXTs and SGXBs. We find that the stellar para...

  13. Evaluation of (vapor + liquid) equilibria for the binary systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol compositions

    Energy Technology Data Exchange (ETDEWEB)

    Ovejero, Gabriel [Grupo de Catalisis y Procesos de Separacion (CyPS), Departamento de Ingenieria Quimica, Facultad de C. Quimicas, Universidsad Complutense de Madrid, Avda. Complutense s/n, 28040 Madrid (Spain)], E-mail: govejero@quim.ucm.es; Dolores Romero, M.; Diez, Eduardo; Lopes, Tania; Diaz, Ismael [Grupo de Catalisis y Procesos de Separacion (CyPS), Departamento de Ingenieria Quimica, Facultad de C. Quimicas, Universidsad Complutense de Madrid, Avda. Complutense s/n, 28040 Madrid (Spain)

    2008-11-15

    Isobaric (vapor + liquid) equilibrium at p = 101.32 kPa of pressure has been determined for the systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol mole fractions. These data were satisfactorily correlated, using ASPEN PLUS commercial software, with Wilson, NRTL, and UNIQUAC activity coefficient models to obtain the binary interaction parameters of both mixtures. Also, UNIFAC group contribution method was employed to predict the equilibrium of both mixtures. With regression values an accurate knowledge of (vapor + liquid) equilibrium for both mixtures can be reached in a range of 1-octanol mole fractions less than 0.1. UNIFAC method provides acceptable results for (1-octanol + n-hexane) system but not for (1-octanol + cyclohexane) system.

  14. Densities and volumetric properties of binary mixtures of the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate with benzaldehyde at T = (298.15 to 313.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Gao Haiyan; Qi Feng [School of Chemical and Material Engineering, Jiangnan University, Road of Lihu, Wuxi, Jiangsu 214122 (China); Wang Haijun [School of Chemical and Material Engineering, Jiangnan University, Road of Lihu, Wuxi, Jiangsu 214122 (China)], E-mail: wanghj329@hotmail.com

    2009-07-15

    The densities of the binary mixtures formed by 1-butyl-3-methylimidazolium tetrafluoroborate [bmim][BF{sub 4}] with aromatic compound (benzaldehyde) have been determined over the full range of compositions at the temperature range from (298.15 to 313.15) K and at atmospheric pressure using a vibrating-tube densimeter (DMA4500). Excess molar volumes (V{sub m}{sup E}) have been obtained from these experimental results, and been fitted by the fourth-order Redlich-Kister equation. In addition, partial molar volumes, apparent molar volumes, and partial molar volumes at infinite dilution have been calculated for each component. Our results show V{sub m}{sup E} decreases slightly when temperature increases in the systems studied. The results have been interpreted in terms of ion-dipole interactions and structural factors of the ionic liquid and these organic molecular liquids.

  15. Thermodynamic study of binary system Propafenone Hydrocloride with Metoprolol Tartrate: solid-liquid equilibrium and compatibility with α-lactose monohydrate and corn starch.

    Science.gov (United States)

    Marinescu, Daniela-Crina; Pincu, Elena; Meltzer, Viorica

    2013-05-20

    Solid-liquid equilibrium (SLE) for binary mixture of Propafenone Hydrocloride (PP) with Metoprolol Tartrate (MT) was investigated using differential scanning calorimetry (DSC) and corresponding activity coefficients were calculated. Simple eutectic behavior for this system was observed. The excess thermodynamic functions: G(E) and S(E) for the pre-, post-, and eutectic composition have been obtained using the computed activity coefficients data of the eutectic phase with their excess chemical potentials μi(E) (i=1, 2). The experimental solid-liquid phase temperatures were compared with predictions obtained from available eutectic equilibrium models. The results indicate non-ideality in this mixture. Also, the compatibility of each component and their eutectic mixture with usual excipients was investigated, and the DSC experiments indicate possible weak interactions with α-lactose monohydrate and compatibility with corn starch. The results obtained were confirmed by FT-IR measurements.

  16. Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water

    CERN Document Server

    Sundararaman, Ravishankar

    2014-01-01

    Classical density-functional theory provides an efficient alternative to molecular dynamics simulations for understanding the equilibrium properties of inhomogeneous fluids. However, application of density-functional theory to multi-site molecular fluids has so far been limited by complications due to the implicit molecular geometry constraints on the site densities, whose resolution typically requires expensive Monte Carlo methods. Here, we present a general scheme of circumventing this so-called inversion problem: compressed representations of the orientation density. This approach allows us to combine the superior iterative convergence properties of multipole representations of the fluid configuration with the improved accuracy of site-density functionals. Next, from a computational perspective, we show how to extend the DFT++ algebraic formulation of electronic density-functional theory to the classical fluid case and present a basis-independent discretization of our formulation for molecular classical de...

  17. Development of a New Binary Solvent System Using Ionic Liquids as Additives to Improve Rotenone Extraction Yield from Malaysia Derris sp.

    Directory of Open Access Journals (Sweden)

    Zetty Shafiqa Othman

    2015-01-01

    Full Text Available Rotenone is one of the prominent insecticidal isoflavonoid compounds which can be isolated from the extract of Derris sp. plant. Despite being an effective compound in exterminating pests in a minute concentration, procuring a significant amount of rotenone in the extracts for commercialized biopesticides purposes is a challenge to be attained. Therefore, the objective of this study was to determine the best ionic liquid (IL which gives the highest yield of rotenone. The normal soaking extraction (NSE method was carried out for 24 hrs using five different types of binary solvent systems comprising a combination of acetone and five respective ionic liquids (ILs of (1 [BMIM] Cl; (2 [BMIM] OAc; (3 [BMIM] NTf2; (4 [BMIM] OTf; and (5 [BMPy] Cl. Next, the yield of rotenone, % (w/w, and its concentration (mg/mL in dried roots were quantitatively determined by means of RP-HPLC and TLC. The results showed that a binary solvent system of [BMIM] OTf + acetone was the best solvent system combination as compared to other solvent systems (P<0.05. It contributed to the highest rotenone content of 2.69 ± 0.21% (w/w (4.04 ± 0.34 mg/mL at 14 hrs of exhaustive extraction time. In conclusion, a combination of the ILs with a selective organic solvent has been proven to increase a significant amount of bioactive constituents in the phytochemical extraction process.

  18. Isothermal Vapor-liquid Equilibria for the Binary Mixtures of 3-Methylpentane with Ethylene Glycol Monopropyl Ether and Ethylene Glycol Isopropyl Ether

    Energy Technology Data Exchange (ETDEWEB)

    Hyeong, Seonghoon; Jang, Sunghyun; Kim, Hwayong [Seoul National University, Seoul (Korea, Republic of)

    2015-02-15

    Isothermal vapor liquid equilibria for the binary system of 3-methylpentane with ethylene glycol monopropyl ether (C{sub 3}E{sub 1}) and ethylene glycol isopropyl ether (iC{sub 3}E{sub 1}) were measured at 303.15, 318.15, and 333.15K. In our previous work, phase equilibria for the binary system of C{sub 3}E{sub 1} mixtures were investigated according to the chain length of alkane, alcohol or those isomer. But in this study, we discussed the different effect of C{sub 3}E{sub 1} and its isomer, iC{sub 3}E{sub 1}, on the phase equilibria. The measured systems were correlated with a Peng-Robinson equation of state (PR EOS) combined with Wong-Sandler mixing rule for the vapor phase, and NRTL, UNIQUAC, and Wilson activity coefficient models for the liquid phase. All the measured systems showed good agreement with the correlation results. And it was found that the phase equilibria showed very little difference between the iC{sub 3}E{sub 1} mixture system and the C{sub 3}E{sub 1} mixture system.

  19. Thermophysical properties of binary mixtures of {l_brace}ionic liquid 2-hydroxy ethylammonium acetate + (water, methanol, or ethanol){r_brace}

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, Victor H. [School of Chemical Engineering, State University of Campinas (UNICAMP), P.O. Box 6066, 13083-970 Campinas-SP (Brazil); Chemical Engineering Department, ETSE, University of Santiago de Compostela (USC), P.O. Box 15782, Santiago de Compostela (Spain); Mattedi, Silvana [Chemical Engineering Department, Polytechnic School, Federal University of Bahia (UFBA), 40210-630 Salvador-BA (Brazil); Martin-Pastor, Manuel [Unidade de Resonancia Magnetica, RIAIDT, edif. CACTUS, University of Santiago de Compostela (USC), P.O. Box 15706, Santiago de Compostela (Spain); Aznar, Martin [School of Chemical Engineering, State University of Campinas (UNICAMP), P.O. Box 6066, 13083-970 Campinas-SP (Brazil); Iglesias, Miguel, E-mail: miguel.iglesias@usc.es [Chemical Engineering Department, ETSE, University of Santiago de Compostela (USC), P.O. Box 15782, Santiago de Compostela (Spain)

    2011-07-15

    Research highlights: > This paper reports the density and speed of sound data of binary mixtures {l_brace}2-hydroxy ethylammonium acetate + (water, or methanol, or ethanol){r_brace} measured between the temperatures (298.15 and 313.15) K at atmospheric pressure. > The aggregation, dynamic behavior, and hydrogen-bond network were studied using thermo-acoustic, X-ray, and NMR techniques. > The Peng-Robinson equation of state, coupled with the Wong-Sandler mixing rule using the COSMO-SAC model predicted the density of the solutions with relative mean deviations below than 3.0%. - Abstract: In this work, density and speed of sound data of binary mixtures of an ionic liquid consisting of {l_brace}2-hydroxy ethylammonium acetate (2-HEAA) + (water, methanol, or ethanol){r_brace} have been measured throughout the entire concentration range, from the temperature of (288.15 to 323.15) K at atmospheric pressure. The excess molar volumes, variations of the isentropic compressibility, the apparent molar volume, isentropic apparent molar compressibility, and thermal expansion coefficient were calculated from the experimental data. The excess molar volumes were negative throughout the whole composition range. Compressibility data in combination with low angle X-ray scattering and NMR measurements proved that the presence of micelles formed due to ion pair interaction above a critical concentration of the ionic liquid in the mixtures. The Peng-Robinson equation of state coupled with the Wong-Sandler mixing rule and COSMO-SAC model was used to predict densities and the calculated deviations were lower than 3%, for binary mixtures in all composition range.

  20. Simulation of nuclei morphologies for binary alloy

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    We study the critical nuclei morphologies of a binary alloy by the string method. The dynamic equation of the string, connecting the metastable phase (liquid) and stable phase (solid), is governed by Helmholtz free energy for the binary alloy system at a given temperature. The stationary string through the critical nucleus (saddle point) is obtained if the relaxation time of the string is su?ciently large. The critical nucleus radius and energy barrier to nucleation of a pure alloy with isotropic interface energy in two and three dimensions are calculated, which are consistent with the classical nucleation theory. The critical nuclei morphologies are sensitive to the anisotropy strength of interface energy and interface thickness of alloy in two and three dimensions. The critical nucleus and energy barrier to nucleation become smaller if the anisotropy strength of the interface energy is increased, which means that it is much easier to form a stable nucleus if the anisotropy of the interface energy is considered.

  1. Comparison of Bayesian and classical methods in the analysis of cluster randomized controlled trials with a binary outcome: the Community Hypertension Assessment Trial (CHAT).

    Science.gov (United States)

    Ma, Jinhui; Thabane, Lehana; Kaczorowski, Janusz; Chambers, Larry; Dolovich, Lisa; Karwalajtys, Tina; Levitt, Cheryl

    2009-06-16

    Cluster randomized trials (CRTs) are increasingly used to assess the effectiveness of interventions to improve health outcomes or prevent diseases. However, the efficiency and consistency of using different analytical methods in the analysis of binary outcome have received little attention. We described and compared various statistical approaches in the analysis of CRTs using the Community Hypertension Assessment Trial (CHAT) as an example. The CHAT study was a cluster randomized controlled trial aimed at investigating the effectiveness of pharmacy-based blood pressure clinics led by peer health educators, with feedback to family physicians (CHAT intervention) against Usual Practice model (Control), on the monitoring and management of BP among older adults. We compared three cluster-level and six individual-level statistical analysis methods in the analysis of binary outcomes from the CHAT study. The three cluster-level analysis methods were: i) un-weighted linear regression, ii) weighted linear regression, and iii) random-effects meta-regression. The six individual level analysis methods were: i) standard logistic regression, ii) robust standard errors approach, iii) generalized estimating equations, iv) random-effects meta-analytic approach, v) random-effects logistic regression, and vi) Bayesian random-effects regression. We also investigated the robustness of the estimates after the adjustment for the cluster and individual level covariates. Among all the statistical methods assessed, the Bayesian random-effects logistic regression method yielded the widest 95% interval estimate for the odds ratio and consequently led to the most conservative conclusion. However, the results remained robust under all methods - showing sufficient evidence in support of the hypothesis of no effect for the CHAT intervention against Usual Practice control model for management of blood pressure among seniors in primary care. The individual-level standard logistic regression is the

  2. Comparison of Bayesian and classical methods in the analysis of cluster randomized controlled trials with a binary outcome: The Community Hypertension Assessment Trial (CHAT

    Directory of Open Access Journals (Sweden)

    Dolovich Lisa

    2009-06-01

    Full Text Available Abstract Background Cluster randomized trials (CRTs are increasingly used to assess the effectiveness of interventions to improve health outcomes or prevent diseases. However, the efficiency and consistency of using different analytical methods in the analysis of binary outcome have received little attention. We described and compared various statistical approaches in the analysis of CRTs using the Community Hypertension Assessment Trial (CHAT as an example. The CHAT study was a cluster randomized controlled trial aimed at investigating the effectiveness of pharmacy-based blood pressure clinics led by peer health educators, with feedback to family physicians (CHAT intervention against Usual Practice model (Control, on the monitoring and management of BP among older adults. Methods We compared three cluster-level and six individual-level statistical analysis methods in the analysis of binary outcomes from the CHAT study. The three cluster-level analysis methods were: i un-weighted linear regression, ii weighted linear regression, and iii random-effects meta-regression. The six individual level analysis methods were: i standard logistic regression, ii robust standard errors approach, iii generalized estimating equations, iv random-effects meta-analytic approach, v random-effects logistic regression, and vi Bayesian random-effects regression. We also investigated the robustness of the estimates after the adjustment for the cluster and individual level covariates. Results Among all the statistical methods assessed, the Bayesian random-effects logistic regression method yielded the widest 95% interval estimate for the odds ratio and consequently led to the most conservative conclusion. However, the results remained robust under all methods – showing sufficient evidence in support of the hypothesis of no effect for the CHAT intervention against Usual Practice control model for management of blood pressure among seniors in primary care. The

  3. Relation between a force curve measured on a solvated surface and the solvation structure: Relational expressions for a binary solvent and a molecular liquid

    CERN Document Server

    Amano, Ken-ichi

    2012-01-01

    Recent atomic force microscopy (AFM) can measure force curves between a probe and a sample surface in several solvents. The force curve is thought as the solvation structure in some cases, because its shape is generally oscilltive and pitch of the oscillation is about the same as diameter of the solvent. However, it is not the solvation structure. It is just only a mean force between the probe and sample surface. Since theoretical relation between the mean force and the solvation structure had not been clearly known, we have recently derived a relational expression within a simple liquid. Although we have derived the relational expression within the simple liquid, the relational expressions for a binary solvent and a molecular liquid have still not known clearly. Hence, we try to obtain the relational expressions in the two types of the solvents. In this letter, we briefly derive the relations and explain a method for comparing the mean force measured by liquid AFM and the solvation structure (obtained by a s...

  4. Density, viscosity and phase equilibria study of {ethylsulfate-based ionic liquid + water} binary systems as a function of temperature and composition

    Energy Technology Data Exchange (ETDEWEB)

    Królikowska, Marta, E-mail: mlaskowska@ch.pw.edu.pl; Lipiński, Paweł; Maik, Daria

    2014-04-01

    Highlights: • The [EMPIP][EtSO{sub 4}], [EMMOR][EtSO{sub 4}], [EMPYR][EtSO{sub 4}] and its aqueous mixtures have been studied. • The density, dynamic viscosity and SLE have been determined. • The excess molar volumes and viscosity deviations have been calculated. • The NRTL, Wilson, UNIQUAC, Redlich–Kister and VFT equations have been used to correlate the experimental data. - Abstract: This paper is a continuation of our investigation on physicochemical and thermodynamic properties of ionic liquids and its aqueous solutions. In this work the density, ρ and dynamic viscosity, η have been determined for binary mixtures of the ionic liquids: 1-ethyl-1-methyl-piperidinium ethylsulfate, [EMPIP][EtSO{sub 4}], 1-ethyl-1-methylmorpholinium ethylsulfate, [EMMOR][EtSO{sub 4}] and 1-ethyl-1-methylpyrrolidinium ethylsulfate, [EMPYR][EtSO{sub 4}] with water at wide temperature and composition range at atmospheric pressure. From experimental values of the density, ρ and dynamic viscosity, η the excess molar volumes, V{sup E} and viscosity deviations, Δη were calculated and correlated using Redlich–Kister polynomial equation. The (solid + liquid) phase equilibria, SLE for the tested binary mixtures have been determined by well-known dynamic method at a wide range of composition and temperature at atmospheric pressure. For comparison, the SLE data for {[EMPYR][EtSO_4] + water} binary mixtures have been determined using DSC technique. The experimental SLE data have been correlated by means of NRTL, UNIQUAC and Wilson equations. Additionally, the basic thermal properties of the pure ILs, that is, the glass-transition temperature, T{sub g,1} as well as the heat capacity at the glass-transition temperature, ΔC{sub p(g),1}, melting temperature, T{sub m} and enthalpy of melting, Δ{sub m}H have been measured using a differential scanning microcalorimetry technique (DSC). Decomposition of the ILs was detected by the simultaneous TG/DTA experiments. The choice of the

  5. Binary nucleation beyond capillarity approximation

    NARCIS (Netherlands)

    Kalikmanov, V.I.

    2010-01-01

    Large discrepancies between binary classical nucleation theory (BCNT) and experiments result from adsorption effects and inability of BCNT, based on the phenomenological capillarity approximation, to treat small clusters. We propose a model aimed at eliminating both of these deficiencies. Adsorption

  6. Effect of atomic size on undercoolability of binary solid solution alloy liquids with Zr, Ti, and Hf using electrostatic levitation.

    Science.gov (United States)

    Jeon, S; Kang, D-H; Lee, Y H; Lee, S; Lee, G W

    2016-11-07

    We investigate the relationship between the excess volume and undercoolability of Zr-Ti and Zr-Hf alloy liquids by using electrostatic levitation. Unlike in the case of Zr-Hf alloy liquids in which sizes of the constituent atoms are matched, a remarkable increase of undercoolability and negative excess volumes are observed in Zr-Ti alloy liquids as a function of their compositional ratios. In this work, size mismatch entropies for the liquids were obtained by calculating their hard sphere diameters, number densities, and packing fractions. We also show that the size mismatch entropy, which arises from the differences in atomic sizes of the constituent elements, plays an important role in determining the stabilities of metallic liquids.

  7. The critical behavior of the dielectric constant in the polar + polar binary liquid mixture nitromethane + 3-pentanol: An unusual sign of its critical amplitude in the one-phase region

    Science.gov (United States)

    Leys, Jan; Losada-Pérez, Patricia; Troncoso, Jacobo; Glorieux, Christ; Thoen, Jan

    2011-07-01

    Dielectric constant measurements have been carried out in the one- and two-phase regions near the critical point of the polar + polar binary liquid mixture nitromethane + 3-pentanol. In the two-phase region, evidence for the |t|2β singularity in the coexistence-curve diameter has been detected, thus confirming the novel predictions of complete scaling theory for liquid-liquid criticality. In the one-phase region, an "unusual" negative sign for the amplitude of the |t|1 - α singularity has been encountered for the first time in an upper critical solution temperature type of binary liquid mixture at atmospheric pressure. Mass density measurements have also been carried out to provide additional information related to such experimental finding, which entails an increase of the critical temperature Tc under an electric field.

  8. Structure-retention and mobile phase-retention relationships for reversed-phase high-performance liquid chromatography of several hydroxythioxanthone derivatives in binary acetonitrile-water mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Amiri, Ali Asghar; Hemmateenejad, Bahram; Safavi, Afsaneh; Sharghi, Hashem; Beni, Ali Reza Salimi [Department of Chemistry, Shiraz University, Shiraz (Iran, Islamic Republic of); Shamsipur, Mojtaba [Department of Chemistry, Razi University, Kermanshah (Iran, Islamic Republic of)], E-mail: mshamsipur@yahoo.com

    2007-12-12

    The reversed-phase high-performance liquid chromatographic (RP-HPLC) behavior of some newly synthesized hydroxythioxanthone derivatives using binary acetonitrile-water mixtures as mobile phase has been examined. First, the variation in the retention time of each molecule as a function of mobile phase properties was studied by Kamlet-Taft solvatochromic equations. Then, the influences of molecular structure of the hydroxythioxanthone derivatives on their retention time in various mobile phase mixtures were investigated by quantitative structure-property relationship (QSPR) analysis. Finally, a unified model containing both the molecular structure parameters and mobile phase properties was developed to describe the chromatographic behavior of the systems studied. Among the solvent properties, polarity/polarizability parameter ({pi}{sup *}) and hydrogen-bond basicity ({beta}), and among the solute properties, the most positive local charge (MPC), the sum of positive charges on hydrogen atoms contributing in hydrogen bonding (SPCH) and lipophilicity index (log P) were identified as controlling factors in the RP-HPLC behavior of hydroxythioxanthone derivatives in actonitrile-water binary solvents.

  9. Structure-retention and mobile phase-retention relationships for reversed-phase high-performance liquid chromatography of several hydroxythioxanthone derivatives in binary acetonitrile-water mixtures.

    Science.gov (United States)

    Amiri, Ali Asghar; Hemmateenejad, Bahram; Safavi, Afsaneh; Sharghi, Hashem; Beni, Ali Reza Salimi; Shamsipur, Mojtaba

    2007-12-12

    The reversed-phase high-performance liquid chromatographic (RP-HPLC) behavior of some newly synthesized hydroxythioxanthone derivatives using binary acetonitrile-water mixtures as mobile phase has been examined. First, the variation in the retention time of each molecule as a function of mobile phase properties was studied by Kamlet-Taft solvatochromic equations. Then, the influences of molecular structure of the hydroxythioxanthone derivatives on their retention time in various mobile phase mixtures were investigated by quantitative structure-property relationship (QSPR) analysis. Finally, a unified model containing both the molecular structure parameters and mobile phase properties was developed to describe the chromatographic behavior of the systems studied. Among the solvent properties, polarity/polarizability parameter (pi*) and hydrogen-bond basicity (beta), and among the solute properties, the most positive local charge (MPC), the sum of positive charges on hydrogen atoms contributing in hydrogen bonding (SPCH) and lipophilicity index (logP) were identified as controlling factors in the RP-HPLC behavior of hydroxythioxanthone derivatives in actonitrile-water binary solvents.

  10. Vapor-liquid equilibria of the (hexafluoroethane + 1,1,1-trifluoroethane) binary system from 258 to 343 K up to 3.89 MPa

    Energy Technology Data Exchange (ETDEWEB)

    Madani, Hakim; Meniai, Abdeslam Hassen [Laboratoire de l' Ingenierie des Procedes d' Environnement, Universite Mentouri Constantine (Algeria); Valtz, Alain; Coquelet, Christophe; Richon, Dominique [MINES, ParisTech, CEP/TEP - Centre Energetique et Procedes, 35 rue Saint Honore, 77305 Fontainebleau (France)

    2009-09-15

    Development of modern refrigeration systems is critical for the success of new global environmental protection efforts. The binary system of refrigerants: Hexafluoroethane (R116) + 1,1,1-trifluoroethane (R143a), has been studied with the aim of providing PTxy data. Isothermal vapor-liquid equilibrium data have been generated using the ''static-analytic'' method from 258 to 328 K at pressures from 0.39 to 3.89 MPa. The model composed of the Peng-Robinson equation of state, the Mathias-Copeman alpha function, the Wong-Sandler mixing rules and the NRTL cell theory is applied herein to correlate the data and calculate the critical line. (author)

  11. Experimental validation of the maxwell-stefan theory for the description of liquid-side mass transfer in a binary mixture ammonia absorption in water using a stirred cell

    NARCIS (Netherlands)

    Frank, M.J.W.; Kuipers, J.A.M.; Swaaij, van W.P.M.

    1996-01-01

    The main goal of this paper is to demonstrate the validity of the Maxwell-Stefan theory for the description of liquid phase mass transport processes in a binary mixture. To critically test this theory absorption experiments of ammonia in water were conducted in a stirred cell. The flux model develop

  12. Comparative study between recent methods manipulating ratio spectra and classical methods based on two-wavelength selection for the determination of binary mixture of antazoline hydrochloride and tetryzoline hydrochloride

    Science.gov (United States)

    Abdel-Halim, Lamia M.; Abd-El Rahman, Mohamed K.; Ramadan, Nesrin K.; EL Sanabary, Hoda F. A.; Salem, Maissa Y.

    2016-04-01

    A comparative study was developed between two classical spectrophotometric methods (dual wavelength method and Vierordt's method) and two recent methods manipulating ratio spectra (ratio difference method and first derivative of ratio spectra method) for simultaneous determination of Antazoline hydrochloride (AN) and Tetryzoline hydrochloride (TZ) in their combined pharmaceutical formulation and in the presence of benzalkonium chloride as a preservative without preliminary separation. The dual wavelength method depends on choosing two wavelengths for each drug in a way so that the difference in absorbance at those two wavelengths is zero for the other drug. While Vierordt's method, is based upon measuring the absorbance and the absorptivity values of the two drugs at their λmax (248.0 and 219.0 nm for AN and TZ, respectively), followed by substitution in the corresponding Vierordt's equation. Recent methods manipulating ratio spectra depend on either measuring the difference in amplitudes of ratio spectra between 255.5 and 269.5 nm for AN and 220.0 and 273.0 nm for TZ in case of ratio difference method or computing first derivative of the ratio spectra for each drug then measuring the peak amplitude at 250.0 nm for AN and at 224.0 nm for TZ in case of first derivative of ratio spectrophotometry. The specificity of the developed methods was investigated by analyzing different laboratory prepared mixtures of the two drugs. All methods were applied successfully for the determination of the selected drugs in their combined dosage form proving that the classical spectrophotometric methods can still be used successfully in analysis of binary mixture using minimal data manipulation rather than recent methods which require relatively more steps. Furthermore, validation of the proposed methods was performed according to ICH guidelines; accuracy, precision and repeatability are found to be within the acceptable limits. Statistical studies showed that the methods can be

  13. Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect.

    Science.gov (United States)

    de Souza, Vanessa K; Wales, David J

    2006-02-10

    On short time scales an underlying Arrhenius temperature dependence of the diffusion constant can be extracted from the fragile, super-Arrhenius diffusion of a binary Lennard-Jones mixture. This Arrhenius diffusion is related to the true super-Arrhenius behavior by a factor that depends on the average angle between steps in successive time windows. The correction factor accounts for the fact that on average, successive displacements are negatively correlated, and this effect can therefore be linked directly with the higher apparent activation energy for diffusion at low temperature.

  14. Analysis of structural correlations in a model binary 3D liquid through the eigenvalues and eigenvectors of the atomic stress tensors.

    Science.gov (United States)

    Levashov, V A

    2016-03-07

    It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These atomic stress tensors can be used to describe liquids' structures and to investigate the connection between structural and dynamic properties. In particular, atomic stresses allow to address atomic scale correlations relevant to the Green-Kubo expression for viscosity. Previously correlations between the atomic stresses of different atoms were studied using the Cartesian representation of the stress tensors or the representation based on spherical harmonics. In this paper we address structural correlations in a 3D model binary liquid using the eigenvalues and eigenvectors of the atomic stress tensors. This approach allows to interpret correlations relevant to the Green-Kubo expression for viscosity in a simple geometric way. On decrease of temperature the changes in the relevant stress correlation function between different atoms are significantly more pronounced than the changes in the pair density function. We demonstrate that this behaviour originates from the orientational correlations between the eigenvectors of the atomic stress tensors. We also found correlations between the eigenvalues of the same atomic stress tensor. For the studied system, with purely repulsive interactions between the particles, the eigenvalues of every atomic stress tensor are positive and they can be ordered: λ1 ≥ λ2 ≥ λ3 ≥ 0. We found that, for the particles of a given type, the probability distributions of the ratios (λ2/λ1) and (λ3/λ2) are essentially identical to each other in the liquids state. We also found that λ2 tends to be equal to the geometric average of λ1 and λ3. In our view, correlations between the eigenvalues may represent "the Poisson ratio effect" at the atomic scale.

  15. Volumetric, Ultrasonic and Transport Properties of Binary Liquid Mixtures Containing Dimethyl Formamide at 303.15 K

    Institute of Scientific and Technical Information of China (English)

    SYAMALA,Vardhana; RAJA SEKHAR,Damaramadugu; SIVA KUMAR,Kasibhatta; VENKATESWARLU,Ponneri

    2007-01-01

    Excess volumes (VE), ultrasonic velocities (u), isentropic compressibility (△Ks) and viscosities (η) for the binary mixtures of dimethyl formamide (DMF) with 1,2-dichlorobenzene, 1,3-dichlorobenzene, 1,2,4-trichlorobenzene,o-chlorotoluene, m-chlorotoluene, p-chlorotoluene, o-nitrotoluene and m-nitrotoluene at 303.15 K were studied.Excess volume data exhibit an inversion in sign for the mixtures of dimethyl formamide with 1,2- and 1,3-dichlorobenzenes and the property is completely positive over the entire composition range for the mixtures of dimethyl formamide with 1,2,4-trichlorobenzene, o-nitrotoluene and m-nitrotoluene. On the other hand, the quantity is negative for the mixtures of dimethyl formamide with chlorotoluenes. Isentropic compressibility (Ks) has been computed for the same systems from precise sound velocity and density data. Further, deviation of isentropic compressibility (△Ks) from ideal behavior was also calculated. △Ks values are negative over the entire volume fraction range in all the binary mixtures. The experimental sound velocity data were analysed in terms of Free Length Theory (FLT) and Collision Factor Theory (CFT). The viscosity data were analysed on the basis of corresponding state approach. The measured data were discussed on the basis of intermolecular interactions between unlike molecules.

  16. Ginzburg-Landau theory for the solid-liquid interface of bcc elements. II - Application to the classical one-component plasma, the Wigner crystal, and He-4

    Science.gov (United States)

    Zeng, X. C.; Stroud, D.

    1989-01-01

    The previously developed Ginzburg-Landau theory for calculating the crystal-melt interfacial tension of bcc elements to treat the classical one-component plasma (OCP), the charged fermion system, and the Bose crystal. For the OCP, a direct application of the theory of Shih et al. (1987) yields for the surface tension 0.0012(Z-squared e-squared/a-cubed), where Ze is the ionic charge and a is the radius of the ionic sphere. Bose crystal-melt interface is treated by a quantum extension of the classical density-functional theory, using the Feynman formalism to estimate the relevant correlation functions. The theory is applied to the metastable He-4 solid-superfluid interface at T = 0, with a resulting surface tension of 0.085 erg/sq cm, in reasonable agreement with the value extrapolated from the measured surface tension of the bcc solid in the range 1.46-1.76 K. These results suggest that the density-functional approach is a satisfactory mean-field theory for estimating the equilibrium properties of liquid-solid interfaces, given knowledge of the uniform phases.

  17. Path Integral Molecular Dynamics within the Grand Canonical-like Adaptive Resolution Technique: Quantum-Classical Simulation of Liquid Water

    CERN Document Server

    Agarwal, Animesh

    2015-01-01

    Quantum effects due to the spatial delocalization of light atoms are treated in molecular simulation via the path integral technique. Among several methods, Path Integral (PI) Molecular Dynamics (MD) is nowadays a powerful tool to investigate properties induced by spatial delocalization of atoms; however computationally this technique is very demanding. The abovementioned limitation implies the restriction of PIMD applications to relatively small systems and short time scales. One possible solution to overcome size and time limitation is to introduce PIMD algorithms into the Adaptive Resolution Simulation Scheme (AdResS). AdResS requires a relatively small region treated at path integral level and embeds it into a large molecular reservoir consisting of generic spherical coarse grained molecules. It was previously shown that the realization of the idea above, at a simple level, produced reasonable results for toy systems or simple/test systems like liquid parahydrogen. Encouraged by previous results, in this ...

  18. The Precise Measurement of Vapor-Liquid Equilibrium Properties of the CO2/Isopentane Binary Mixture, and Fitted Parameters for a Helmholtz Energy Mixture Model

    Science.gov (United States)

    Miyamoto, H.; Shoji, Y.; Akasaka, R.; Lemmon, E. W.

    2017-10-01

    Natural working fluid mixtures, including combinations of CO2, hydrocarbons, water, and ammonia, are expected to have applications in energy conversion processes such as heat pumps and organic Rankine cycles. However, the available literature data, much of which were published between 1975 and 1992, do not incorporate the recommendations of the Guide to the Expression of Uncertainty in Measurement. Therefore, new and more reliable thermodynamic property measurements obtained with state-of-the-art technology are required. The goal of the present study was to obtain accurate vapor-liquid equilibrium (VLE) properties for complex mixtures based on two different gases with significant variations in their boiling points. Precise VLE data were measured with a recirculation-type apparatus with a 380 cm3 equilibration cell and two windows allowing observation of the phase behavior. This cell was equipped with recirculating and expansion loops that were immersed in temperature-controlled liquid and air baths, respectively. Following equilibration, the composition of the sample in each loop was ascertained by gas chromatography. VLE data were acquired for CO2/ethanol and CO2/isopentane binary mixtures within the temperature range from 300 K to 330 K and at pressures up to 7 MPa. These data were used to fit interaction parameters in a Helmholtz energy mixture model. Comparisons were made with the available literature data and values calculated by thermodynamic property models.

  19. 加入惰性固体粒子的二元物系的流动沸腾传热特性%HEAT TRANSFER ON VAPOR-LIQUID-SOLID THREE-PHASE FLOW BOILING OF BINARY MIXTURES

    Institute of Scientific and Technical Information of China (English)

    王春雨; 李修伦

    2000-01-01

    Experimental study on vapor-liquid-solid three-phase flow boiling heat transfer of ethanol-water binary mixtures in a vertical tube was carried out. The results showed that with the presence of inert solid particles in binary mixtures, the heat transfer coefficients were 1.5—2.0 times of those with the vapor-liquid two-phase flow. The effects of several parameters on heat transfer were also discussed. The results showed that the three-phase flow boiling heat transfer coefficients of binary mixtures decreased with the increase of the composition of ethanol in binary mixtures when the composition were within 3%—18% and the heat transfer coefficients increased with the increase of the heat flux and the flow rate. The three-phase flow boiling heat transfer coefficients of binary mixtures increased with the increase of the volume fractions of solid particles and this tendency was the same for different particles. But the enhancement by particles with dissimilar physical properties are not the same.It was due to their different density, specific heat and thermal conductivity. The heat transfer coefficients increased with the increase of these three properties. Surface wettability had great effects on the enhancement of boiling heat transfer. Heat transfer coefficients increased with the decrease of the surface wettability, which was shown by the polyacrylamide particles.

  20. Lipase-Catalyzed Esterification of Ferulic Acid with Oleyl Alcohol in Ionic Liquid/Isooctane Binary Systems

    DEFF Research Database (Denmark)

    Chen, Bilian; Liu, Huanzhen; Guo, Zheng

    2011-01-01

    Lipase-catalyzed synthesis of ferulic acid oleyl alcohol ester in an ionic liquid (IL)/isooctane system was investigated. Considerable bioconversion and volumetric productivity were achieved in inexpensive 1-hexyl-3-methylimidazolium hexafluorophosphate ([Hmim][PF6]) and 1-methyl-3-octylimidazoli...

  1. A multiscale variational approach to the kinetics of viscous classical liquids: The coarse-grained mean field approximation

    Science.gov (United States)

    Sereda, Yuriy V.; Ortoleva, Peter J.

    2014-04-01

    A closed kinetic equation for the single-particle density of a viscous simple liquid is derived using a variational method for the Liouville equation and a coarse-grained mean-field (CGMF) ansatz. The CGMF ansatz is based on the notion that during the characteristic time of deformation a given particle interacts with many others so that it experiences an average interaction. A trial function for the N-particle probability density is constructed using a multiscale perturbation method and the CGMF ansatz is applied to it. The multiscale perturbation scheme is based on the ratio of the average nearest-neighbor atom distance to the total size of the assembly. A constraint on the initial condition is discovered which guarantees that the kinetic equation is mass-conserving and closed in the single-particle density. The kinetic equation has much of the character of the Vlasov equation except that true viscous, and not Landau, damping is accounted for. The theory captures condensation kinetics and takes much of the character of the Gross-Pitaevskii equation in the weak-gradient short-range force limit.

  2. Prediciton of high-pressure vapor liquid equilibrium of six binary systems, carbon dioxide with six esters, using an artificial neural network model

    Directory of Open Access Journals (Sweden)

    C. Si-Moussa

    2008-03-01

    Full Text Available Artificial neural networks are applied to high-pressure vapor liquid equilibrium (VLE related literature data to develop and validate a model capable of predicting VLE of six CO2-ester binaries (CO2-ethyl caprate, CO2-ethyl caproate, CO2-ethyl caprylate, CO2-diethyl carbonate, CO2-ethyl butyrate and CO2-isopropyl acetate. A feed forward, back propagation network is used with one hidden layer. The model has five inputs (two intensive state variables and three pure ester properties and two outputs (two intensive state variables.The network is systematically trained with 112 data points in the temperature and pressure ranges (308.2-328.2 K, (1.665-9.218 MPa respectively and is validated with 56 data points in the temperature range (308.2-328.2 K. Different combinations of network architecture and training algorithms are studied. The training and validation strategy is focused on the use of a validation agreement vector, determined from linear regression analysis of the plots of the predicted versus experimental outputs, as an indication of the predictive ability of the neural network model. Statistical analyses of the predictability of the optimised neural network model show excellent agreement with experimental data (a coefficient of correlation equal to 0.9995 and 0.9886, and a root mean square error equal to 0.0595 and 0.00032 for the predicted equilibrium pressure and CO2 vapor phase composition respectively. Furthermore, the comparison in terms of average absolute relative deviation between the predicted results for each binary for the whole temperature range and literature results predicted by some cubic equation of state with various mixing rules and excess Gibbs energy models shows that the artificial neural network model gives far better results.

  3. Behaviour of a binary solvent mixture constituted by an amphiphilic ionic liquid, 1-decyl-3-methylimidazolium bromide and water Potentiometric and conductimetric studies.

    Science.gov (United States)

    Sirieix-Plénet, Juliette; Gaillon, Laurent; Letellier, Pierre

    2004-07-01

    We investigated the properties of 1-decyl-3-methylimidazolium bromide (DMImBr), a molten salt at room temperature, and its mixtures with water in the whole proportions. At low concentrations, this salt behaved like a classical cationic amphiphile. Its critical micellar concentration (cmc) was determined by conductimetry and by measuring electromotive forces (EMF) with bromide or cationic surfactant-selective electrodes. Moreover, the association rate of the counter ion to micelle has been determined on a wide range of concentrations, allowing characterising the micellisation equilibrium by a solubility product. The conductivity of this liquid electrolyte in mixtures with water was maximal at high concentrations. We modelled this behaviour, taking into account the molar volume fraction of both phases. Our results show that these solutions, which are composed of dispersed aggregates, behave like mixtures of two phases that interpenetrate themselves.

  4. Shock Hugoniot equations of state for binary ideal (toluene/fluorobenzene) and nonideal (ethanol/water) liquid mixtures.

    Science.gov (United States)

    Schulze, Peter A; Dang, Nhan C; Bolme, Cynthia A; Brown, Kathryn E; McGrane, Shawn D; Moore, David S

    2013-07-25

    Laser shock Hugoniot data were obtained using ultrafast dynamic ellipsometry (UDE) for both nonideal (ethanol/water solutions with mole percent χ(ethanol) = 0%, 3.4%, 5.4%, 7.5%, 9.7%, 11%, 18%, 33%, 56%, 100%) and ideal liquid mixtures (toluene/fluorobenzene solutions with mole percent χ(toluene) = 0%, 26.0%, 49.1%, 74.9%, 100%). The shock and particle velocities obtained from the UDE data were compared to the universal liquid Hugoniot (ULH) and to literature shock (plate impact) data where available. It was found that the water UDE data fit to a ULH-form equation suggests an intercept of 1.32 km/s, lower than the literature ambient sound speed in water of 1.495 km/s (Mijakovic et al. J. Mol. Liq. 2011, 164, 66-73). Similarly, the ethanol UDE data fit to a ULH-form equation suggests an intercept of 1.45 km/s, which lies above the literature ambient sound speed in ethanol of 1.14 km/s. Both the literature plate impact and UDE Hugoniot data lie below the ULH for water. Likewise, the literature plate impact and UDE Hugoniot data lie above the ULH for ethanol. The UDE Hugoniot data for the mixtures of water and ethanol cross the predictions of the ULH near the same concentration where the sound speed reaches a maximum. In contrast, the UDE data from the ideal liquids and their mixtures are well behaved and agree with ULH predictions across the concentration range. The deviations of the nonideal ethanol/water data from the ULH suggest that complex hydrogen bonding networks in ethanol/water mixtures alter the compressibility of the mixture.

  5. Classical antiparticles

    Energy Technology Data Exchange (ETDEWEB)

    Costella, J.P.; McKellar, B.H.J.; Rawlinson, A.A.

    1997-03-01

    We review how antiparticles may be introduced in classical relativistic mechanics, and emphasize that many of their paradoxical properties can be more transparently understood in the classical than in the quantum domain. (authors). 13 refs., 1 tab.

  6. Classical antiparticles

    CERN Document Server

    Costella, J P; Rawlinson, A A; Costella, John P.; Kellar, Bruce H. J. Mc; Rawlinson, Andrew A.

    1997-01-01

    We review how antiparticles may be introduced in classical relativistic mechanics, and emphasize that many of their paradoxical properties can be more transparently understood in the classical than in the quantum domain.

  7. Microscale Heat Transfer Enhancement using Spinodal Decomposition of Binary Liquid Mixtures: A Collaborative Modeling/Experimental Approach

    Science.gov (United States)

    2013-09-01

    separated liquid phases, of different compositions, in mutual equilibrium. This is possible only if the overall Gibbs free energy of the two separated phases...distribution is unlimited. enthalpy, v the velocity, k the conductivity. Since the Gibbs free energy (g) can be expressed as g = φg11 + (1− φ)g22 +RT...phases (a) 0 5 10 15 20 25 30 35 100 150 200 250 300 350 400 450 500 550 600 Frame A re a [µ m 2 ] area phase 1 area phase 2 area fase (b) Figure

  8. Solid and liquid phase equilibria and solid-hydrate formation in binary mixtures of water with amines

    Institute of Scientific and Technical Information of China (English)

    车冠全; 彭文烈; 黄良恩; 古喜兰; 车飙

    1997-01-01

    Solid and liquid phase diagrams have been constructed for {water+triethylamine,or+N,N-dimethylformamide(DMF) or+N,N-dimethlacetamide (DMA)} Solid-hydrates form with the empirical formulae N(C2H5)3 3H2O,DMF 3H2O,DMF 2H2O,DMA 3H2O and (DMA)2 3H2O.All are congruently melting except the first which melts incongruently.The solid-hydrate formation is attributed to hydrogen bond.The results are compared with the references

  9. Solid-Liquid Equilibria of Several Binary and Ternary Systems Containing Maleic Anhydride%顺丁烯二酸酐在单一溶剂和混合溶剂中的固液平衡研究

    Institute of Scientific and Technical Information of China (English)

    马沛生; 陈明鸣; 董奕

    2002-01-01

    Solid-liquid equilibria (SLE) of three binary systems and seven ternary systems containing maleic anhydride(MA) are measured by visual method. The experimental data are compared with the calculated ones with modified universal quasichemical functional group activity coefficient(UNIFAC) method in which the interaction parameters between groups come from two sources, dortmund data bank(DDB), if there's any, and correlations based on our former presented experimental SLE data of twenty binary systems. New groups of MA, ACCOO group, COO group, >C=O group and cy-CH2 group are defined and the SLE data of maleic anhydride in isopropyl acetate in literature are cited in order to assess the new interaction parameters, correlated with Wilson equation and the λh equation. The modified UNIFAC method with these new regressed interaction parameters is also used to predict other three binary systems containing maleic anhydride.

  10. Polarization transfer kinetics in a binary system of molecular luminescense centers in nanopores with a liquid crystal filler

    Science.gov (United States)

    Kucherenko, M. G.; Palem, A. A.

    2008-04-01

    We have studied the anisotropic activated luminescence of molecular centers introduced into spherical nanopores filled with a nematic liquid crystal possessing a homeotropic texture. The kinetics of the anisotropy of emission from these centers is traced during selective pulsed activation of the donor subsystem by a linearly polarized light in the case where the long-range nonradiative transfer of the electron excitation energy to the acceptor molecules takes place in a radially aligned two-component luminescent system. A theoretical model is proposed that takes into account the migration of excitations over the system of donor centers. Dependences of the kinetics of the anisotropy of acceptor luminescence on the nanopore radius, the Förster transfer rate, and some other parameters have been determined. A change in the sign of polarization of the activated luminescence signal has been observed.

  11. Scaling relation and regime map of explosive gas–liquid flow of binary Lennard-Jones particle system

    KAUST Repository

    Inaoka, Hajime

    2012-02-01

    We study explosive gasliquid flows caused by rapid depressurization using a molecular dynamics model of Lennard-Jones particle systems. A unique feature of our model is that it consists of two types of particles: liquid particles, which tend to form liquid droplets, and gas particles, which remain supercritical gaseous states under the depressurization realized by simulations. The system has a pipe-like structure similar to the model of a shock tube. We observed physical quantities and flow regimes in systems with various combinations of initial particle number densities and initial temperatures. It is observed that a physical quantity Q, such as pressure, at position z measured along a pipe-like system at time t follows a scaling relation Q(z,t)=Q(zt) with a scaling function Q(ζ). A similar scaling relation holds for time evolution of flow regimes in a system. These scaling relations lead to a regime map of explosive flows in parameter spaces of local physical quantities. The validity of the scaling relations of physical quantities means that physics of equilibrium systems, such as an equation of state, is applicable to explosive flows in our simulations, though the explosive flows involve highly nonequilibrium processes. In other words, if the breaking of the scaling relations is observed, it means that the explosive flows cannot be fully described by physics of equilibrium systems. We show the possibility of breaking of the scaling relations and discuss its implications in the last section. © 2011 Elsevier B.V. All rights reserved.

  12. Experimental determination and prediction of solid-liquid phase equilibria for binary (N-(2-acetoxyethyl-p-nitroaniline (1 + N-ethyle-4-nitroaniline (2 mixture

    Directory of Open Access Journals (Sweden)

    Trache D.

    2013-07-01

    Full Text Available The nitrocellulose based materials are degraded in a natural way during their storage; the processes of degradation are accelerated when the temperature or the humidity increases. To prevent this decomposition, these materials include in their composition stabilising agents which retain the nitro groups and avoid the auto-catalytic degradation of nitrocellulose. The aim of the present work is to improve our understanding of the basic mechanisms of the degradation of the nitrocellulose based materials and the way in which their stabilization evolves. Solid–liquid phase equilibrium for the binary system of (N-(2-acetoxyethyl-p-nitroaniline (1 + N-ethyle-4-nitrooaniline (2 is determined using DSC technique. The experimental results were correlated using Wilson and UNIQUAC models. As results, the system studied presents a simple eutectic, where the components are not miscible in the solid phase. Important deviations between experimental and predicted values are observed in the case of ideal model. These deviations can be attributed to the complexity of our system and principally to the presence of intermolecular effects. The best description of SLE was given by the two parameters UNIQUAC.

  13. Optically Biaxial, Re-entrant and Frustrated Mesophases in Chiral, Non-symmetric Liquid Crystal Dimers and Binary Mixtures.

    Science.gov (United States)

    Padmini, Vediappen; Babu, Palakurthy Nani; Nair, Geetha G; Rao, D S Shankar; Yelamaggad, Channabasaveshwar V

    2016-10-20

    Sixteen optically active, non-symmetric dimers, in which cyanobiphenyl and salicylaldimine mesogens are interlinked by a flexible spacer, were synthesized and characterized. While the terminal chiral tail, in the form of either (R)-2-octyloxy or (S)-2-octyloxy chain attached to salicylaldimine core, was held constant, the number of methylene units in the spacer was varied from 3 to 10 affording eight pairs of (R & S) enantiomers. They were probed for their thermal properties with the aid of orthoscopy, conoscopy, differential scanning calorimetry and X-ray powder diffraction. In addition, the binary mixture study was carried out using chiral and achiral dimers with the intensions of stabilizing optically biaxial phase/s, re-entrant phases and important phase sequences. Notably, one of the chiral dimers as well as some mixtures exhibited a biaxial smectic A (SmAb ) phase appearing between a uniaxial SmA and a re-entrant uniaxial SmA phases. The mesophases such as chiral nematic (N*) and frustrated phases viz., blue phases (BPs) and twist grain boundary (TGB) phases, were also found to occur in most of the dimers and mixtures. X-ray diffraction studies revealed that the dimers possessing oxybutoxy and oxypentoxy spacers show interdigitated (SmAd ) phase where smectic periodicity is over 1.4 times the molecular length; whereas in the intercalated SmA (SmAc ) phase formed by a dimer having oxydecoxy spacer the periodicity was found to be approximately half the molecular length. The handedness of the helical structure of the N* phases formed by two enantiomers was examined with the aid of CD measurements; as expected, these enantiomers showed optical activities of equal magnitudes but with opposite signs. Overall, it appears that the chiral dimers and mixtures presented herein may serve as model systems in design and developing novel materials exhibiting the apolar SmAb phase possessing D2h symmetry and nematic-type biaxiality. © 2016 Wiley-VCH Verlag GmbH & Co. KGa

  14. Isobaric Vapor-Liquid Equilibrium of Binary Systems: p-Xylene + (Acetic Acid, Methyl Acetate and n-Propyl Acetate)and Methyl Acetate + n-Propyl Acetate in an Acetic Acid Dehydration Process

    Institute of Scientific and Technical Information of China (English)

    HUANG Xiuhui; ZHONG Weimin; PENG Changjun; QIAN Feng

    2013-01-01

    The vapor-liquid equilibrium data of four binary systems(acetic acid + p-xylene,methyl acetate + n-propyl acetate,n-propyl acetate + p-xylene and methyl acetate + p-xylene)are measured at 101.33 kPa with Ellis equilibrium still,and then both the NRTL and UNIQUAC models are used in combination with the HOC model for correlating and estimating the vapor-liquid equilibrium of these four binary systems.The estimated binary VLE results using correlated parameters agree well with the measured data except the methyl acetate + p-xylene system which easily causes bumping and liquid rushing out of the sampling tap due to their dramatically different boiling points.The correlation results by NRTL and UNIQUAC models have little difference on the average absolute deviations of temperature and composition of vapor phase,and the results by NRTL model are slightly better than those by UNIQUAC model except for the methyl acetate + n-propyl acetate system,for which the latter gives more accurate correlations.

  15. Measurement and correlation of isobaric vapor-liquid equilibrium for the binary system of cyclopentane and tetrahydrofuran

    Directory of Open Access Journals (Sweden)

    Yumei Li

    2014-09-01

    Full Text Available Isobaric vapor-liquid equilibrium (VLE data for the cyclopentane and tetrahydrofuran (THF system were measured at 101.3 kPa by using an equilibrium still. Thermodynamic consistency of the experimental data was confirmed by means of the Herington method. The experimental data were correlated and calculated by the Margules, Van Laar and Wilson activity-coefficient models, respectively. The Wilson and Van Laar activity-coefficient models are better than the Margules activity-coefficient model based on the average absolute deviations of temperature and the vapor-phase composition. For the Wilson and Van Laar activity-coefficient models the average absolute deviations between the experimental and the calculated values were 0.24 K and 0.23 K for the boiling point, and 0.0040 for vapor-phase composition, respectively. These agree well with the experimental data. Therefore, it was shown that the Wilson and Van Laar activity-coefficient models satisfactorily correlate the experimental results of the cyclopentane and tetrahydrofuran system.

  16. (Vapor + Liquid) Equilibrium (VLE) for Binary Lead-Antimony System in Vacuum Distillation: New Data and Modeling Using Nonrandom Two-Liquid (NRTL) Model

    Science.gov (United States)

    Xu, Junjie; Kong, Lingxin; Xu, Baoqiang; Yang, Bin; You, Yanjun; Xu, Shuai; Zhou, Yuezhen; Li, Yifu; Liu, Dachun

    2016-09-01

    In this work, new experimental vapor-liquid equilibrium (VLE) data of lead-antimony alloy (Pb-Sb alloy) in vacuum distillation are reported. The activity coefficients of components of Pb-Sb alloy were calculated by using the NRTL model. The calculated average relative deviations were ±0.1425 and ±0.2433 pct, and the average standard deviations were ±0.0009 and ±0.0007, respectively, for Pb and Sb. The VLE phase diagrams, such as the temperature composition ( T- x) and pressure composition ( P-x) diagrams of Pb-Sb alloy in vacuum distillation were predicted based on the NRTL model and VLE theory. The predicted results are consistent with the new experimental data indicating that VLE phase diagrams obtained by this method are reliable. The VLE phase diagrams of alloys will provide an effective and intuitive way for the technical design and realization of recycling and separation processes. The VLE data may be used in separation processes design, and the thermodynamic properties as the key parameters in specific applications.

  17. Lipase-catalyzed esterification of ferulic Acid with oleyl alcohol in ionic liquid/isooctane binary systems.

    Science.gov (United States)

    Chen, Bilian; Liu, Huanzhen; Guo, Zheng; Huang, Jian; Wang, Minzi; Xu, Xuebing; Zheng, Lifei

    2011-02-23

    Lipase-catalyzed synthesis of ferulic acid oleyl alcohol ester in an ionic liquid (IL)/isooctane system was investigated. Considerable bioconversion and volumetric productivity were achieved in inexpensive 1-hexyl-3-methylimidazolium hexafluorophosphate ([Hmim][PF(6)]) and 1-methyl-3-octylimidazolium hexafluorophosphate ([Omim][PF(6)]) mediated systems, and thus, the two types of ILs were selected for further optimization of variables. The results showed that, before reaching a maximum, the increase of ferulic acid concentration, temperature, or enzyme dosage led to an increase in volumetric productivity. Variations of the ratios of IL/isooctane and concentrations of oleyl alcohol also profoundly affected the volumetric productivity. To a higher extent, [Hmim][PF(6)]/isooctane and [Omim][PF(6)]/isooctane show similar reaction behaviors. Under the optimized reaction conditions (60 °C, 150 mg of Novozym 435 and 100 mg of molecular sieves), up to 48.50 mg/mL productivity of oleyl feruleate could be achieved for the [Hmim][PF(6)]/isooctane (0.5 mL/1.5 mL) system with a substrate concentration of ferulic acid of 0.08 mmol/mL and oleyl alcohol of 0.32 mmol; while an optimum volumetric productivity of 26.92 mg/mL was obtained for the [Omim][PF(6)]/ isooctane (0.5 mL/1.5 mL) system under a similar reaction condition other than the substrate concentrations of ferulic acid at 0.05 mmol/mL and oleyl alcohol at 0.20 mmol.

  18. Molecular dynamics study of nanoscale organization and hydrogen bonding in binary mixtures of butylammonium nitrate ionic liquid and primary alcohols

    Science.gov (United States)

    Shrivastav, Gourav; Gupta, Aditya; Rastogi, Aman; Dhabal, Debdas; Kashyap, Hemant K.

    2017-02-01

    Molecular dynamics simulations are utilized here to explore the nanoscale morphology and the nature of hydrogen bonding in the equimolar mixtures of butylammonium nitrate protic ionic liquid with ethanol, propanol, and butanol. The X-ray scattering experimental study of Greaves et al. [Phys. Chem. Chem. Phys. 13, 13 501 (2011)] has evidenced that alkylammonium nitrate plus alcohol mixtures possess nanoscale structural order which becomes more pronounced as the chain length of the alcohol increases. Our analysis carried out using simulated total and partial X-ray scattering structure functions quantifies the basis of these observations. The partial structure functions highlight the off-phase density correlations of alcohol with both cation and anion in the low-q region. We demonstrate that the chain lengthening of alcohols offers significant variation in the structuring of the polar and apolar moieties in the mixtures. The inspection based on radial distribution functions manifests the non-linear hydrogen bonds of cations with nitrate anions as well as alcohol molecules. The alcohol's hydroxyl group prefers to form linear hydrogen bonds with anions and with other alcohol molecules. Incremented chain length of alcohol improves the extent of hydrogen bonding but does not alter their geometry. Spatial distribution functions delineate similar preferences. It shows stronger directional preferences of the hydroxyl group of alcohols than cation in the vicinity of an anion. Enhanced pair correlations associated with the terminal methyl carbons suggest aggregation of butanol chains in apolar domains. Triplet correlation functions (TCFs) are also used to evaluate the orientational preferences of the present polar moieties in the mixtures. Information based on TCFs for distribution of polar head group of cations and anions unveils the dominance of equilateral configurations over the less frequent isosceles configurations in all the three mixtures.

  19. Classics Online.

    Science.gov (United States)

    Clayman, Dee L.

    1995-01-01

    Appraises several databases devoted to classical literature. Thesaurus Linguae Graecae (TLG) contains the entire extant corpus of ancient Greek literature, including works on lexicography and historiography, extending into the 15th century. Other works awaiting completion are the Database of Classical Bibliography and a CD-ROM pictorial dictionary…

  20. Classical integrability

    Science.gov (United States)

    Torrielli, Alessandro

    2016-08-01

    We review some essential aspects of classically integrable systems. The detailed outline of the sections consists of: 1. Introduction and motivation, with historical remarks; 2. Liouville theorem and action-angle variables, with examples (harmonic oscillator, Kepler problem); 3. Algebraic tools: Lax pairs, monodromy and transfer matrices, classical r-matrices and exchange relations, non-ultralocal Poisson brackets, with examples (non-linear Schrödinger model, principal chiral field); 4. Features of classical r-matrices: Belavin-Drinfeld theorems, analyticity properties, and lift of the classical structures to quantum groups; 5. Classical inverse scattering method to solve integrable differential equations: soliton solutions, spectral properties and the Gel’fand-Levitan-Marchenko equation, with examples (KdV equation, Sine-Gordon model). Prepared for the Durham Young Researchers Integrability School, organised by the GATIS network. This is part of a collection of lecture notes.

  1. Reversed-phase high performance liquid chromatography (RP-HPLC) characteristics of some 9,10-anthraquinone derivatives using binary acetonitrile-water mixtures as mobile phase.

    Science.gov (United States)

    Hemmateenejad, B; Shamsipur, M; Safavi, A; Sharghi, H; Amiri, A A

    2008-10-19

    The retention behavior of 28 synthesized 9,10-anthraquinone derivatives in a reversed-phase (RP) high performance liquid chromatography (HPLC) system has been studied on a C18-RP column using acetonitrile-water mixtures as mobile phase. The influences of the composition of mobile phase and the solute structure on the retention times of 9,10-anthraquinone derivatives were investigated by linear solvation free energy relationship (LSFER) and quantitative structure-retention relationship (QSRR) analyses. Among different solvatochromic parameters of solvent systems, their polarity/polarizability parameter (pi*) was identified as the controlling factor affecting retention behavior of these compounds. A four-parametric QSRR model was obtained between solute structures and retention indices. Finally, a unified model containing both the molecular structure parameters and mobile phase properties was developed to describe the chromatographic behavior of the systems studied. The resulted QSRR models could explain and predict higher than 90% of variances in the retention indices. Among the solvent properties, polarity/polarizability parameter (pi*), and among the solute properties, HATS5v (leverage-weighted autocorrelation of lag 5/weighted by atomic van der Waals volumes, GETAWAY descriptors), Mor14p (3D-MoRSE-signal 14/weighted by atomic polarizabilities, 3D-MoRSE descriptors), GATS5p (Geary autocorrelation-lag 5/weighted by atomic polarizabilities, 2D autocorrelations) and R6u+(R maximal autocorrelation of lag 6/unweighted, GETAWAY descriptors) were identified as controlling factors in the RP-HPLC behavior of 9,10-anthraquinone derivatives in actonitrile-water binary solvents.

  2. Fermi-liquid behavior of binary intermetallic compounds Y3 M (M  =  Co, Ni, Rh, Pd, Ir, Pt)

    Science.gov (United States)

    Strychalska-Nowak, Judyta; Wiendlocha, Bartłomiej; Hołowacz, Katarzyna; Reczek, Paula; Podgórski, Mateusz; Winiarski, Michał J.; Klimczuk, Tomasz

    2017-06-01

    A series of polycrystalline samples of Y3 M (M  =  Co, Ni, Rh, Pd, Ir, Pt), intermetallic binary compounds were synthesized by the arc-melting method. Powder x-ray diffraction (pXRD) confirmed the orthorhombic cementite-type crystal structure and allowed for the estimation of the lattice parameters. Physical properties were investigated by means of electrical resistivity and heat capacity measurements between 1.9 K and 300 K. All tested compounds show metallic-like behaviour with RRR values ranging from 1.3 to 8.3, and power-law ρ \\propto {{T}n} temperature dependence of resistivity was observed, with 1.6≤slant n≤slant 2.2 . No superconductivity was detected above 1.9 K. The Debye temperature, estimated from the low temperature heat capacity fit, ranged from 180 K (Y3Pt) to 222 K (Y3Co). The highest value of the Sommerfeld coefficient γ was found for Y3Pd (19.5 mJ mol-1 K-2). The pXRD pattern of Y3Rh indicated the presence of Y5Rh2, a previously unreported Pd5B2-type phase, whose unit cell parameters were refined using the LeBail method. Density functional theory calculations were performed and theoretical results revealed strong enhancement of the measured electronic specific heat, which was 30%-100% larger than computed. Quadratic temperature dependence of resistivity and enhanced electronic specific heat indicated a Fermi-liquid behavior of electrons in these materials.

  3. Interacting binaries

    CERN Document Server

    Shore, S N; van den Heuvel, EPJ

    1994-01-01

    This volume contains lecture notes presented at the 22nd Advanced Course of the Swiss Society for Astrophysics and Astronomy. The contributors deal with symbiotic stars, cataclysmic variables, massive binaries and X-ray binaries, in an attempt to provide a better understanding of stellar evolution.

  4. Density and Comparative Refractive Index Study on Mixing Properties of Binary Liquid Mixtures of Eucalyptol with Hydrocarbons at 303.15, 308.15 and 313.15 K

    Directory of Open Access Journals (Sweden)

    Sangita Sharma

    2007-01-01

    Full Text Available Density and refractive index have been experimentally determined for binary liquid mixtures of eucalyptol with hydrocarbons (o-xylene,m-xylene and toluene at 303.15 K, 308.15 K and 313.15 K. A comparative study of Lorentz-Lorenz (L-L, Weiner (W, Heller (H, Gladstone-Dale (G-D, Arago-Biot (A-B, Eykman (Eyk, Newton (Nw, Eyring-John (E-J and Oster (Os relations for determining the refractive index of a liquid has been carried out to test their validity for the three binaries over the entire mole fraction range of eucalyptol at 303.15 K, 308.15 K and 313.15 K. Comparison of various mixing rules has been expressed in terms of average deviation. From the experimentally measured values, refractive index deviations at different temperatures have been computed and fitted to the Redlich-Kister polynomial equation to derive the binary coefficients and standard deviations.

  5. Communication: radial distribution functions in a two-dimensional binary colloidal hard sphere system.

    Science.gov (United States)

    Thorneywork, Alice L; Roth, Roland; Aarts, Dirk G A L; Dullens, Roel P A

    2014-04-28

    Two-dimensional hard disks are a fundamentally important many-body model system in classical statistical mechanics. Despite their significance, a comprehensive experimental data set for two-dimensional single component and binary hard disks is lacking. Here, we present a direct comparison between the full set of radial distribution functions and the contact values of a two-dimensional binary colloidal hard sphere model system and those calculated using fundamental measure theory. We find excellent quantitative agreement between our experimental data and theoretical predictions for both single component and binary hard disk systems. Our results provide a unique and fully quantitative mapping between experiments and theory, which is crucial in establishing the fundamental link between structure and dynamics in simple liquids and glass forming systems.

  6. Elementary classical hydrodynamics

    CERN Document Server

    Chirgwin, B H; Langford, W J; Maxwell, E A; Plumpton, C

    1967-01-01

    Elementary Classical Hydrodynamics deals with the fundamental principles of elementary classical hydrodynamics, with emphasis on the mechanics of inviscid fluids. Topics covered by this book include direct use of the equations of hydrodynamics, potential flows, two-dimensional fluid motion, waves in liquids, and compressible flows. Some general theorems such as Bernoulli's equation are also considered. This book is comprised of six chapters and begins by introducing the reader to the fundamental principles of fluid hydrodynamics, with emphasis on ways of studying the motion of a fluid. Basic c

  7. Marangoni Convection in Binary Mixtures

    CERN Document Server

    Zhang, J; Oron, A; Behringer, Robert P.; Oron, Alexander; Zhang, Jie

    2006-01-01

    Marangoni instabilities in binary mixtures are different from those in pure liquids. In contrast to a large amount of experimental work on Marangoni convection in pure liquids, such experiments in binary mixtures are not available in the literature, to our knowledge. Using binary mixtures of sodium chloride/water, we have systematically investigated the pattern formation for a set of substrate temperatures and solute concentrations in an open system. The flow patterns evolve with time, driven by surface-tension fluctuations due to evaporation and the Soret effect, while the air-liquid interface does not deform. A shadowgraph method is used to follow the pattern formation in time. The patterns are mainly composed of polygons and rolls. The mean pattern size first decreases slightly, and then gradually increases during the evolution. Evaporation affects the pattern formation mainly at the early stage and the local evaporation rate tends to become spatially uniform at the film surface. The Soret effect becomes i...

  8. 甲基二氯硅烷-甲基乙烯基二氯硅烷-甲苯三元体系等压汽液平衡%Isobaric Vapor-Liquid Equilibrium for Methyldichlorosi lane+Methylvinyldichlorosilane+Toluene and Constituent Binary Systems

    Institute of Scientific and Technical Information of China (English)

    余淑娴; 余祖兵; 邱祖民; 孙(韦华)

    2003-01-01

    Vapor-liquid equilibrium (VLE) for a ternary system of methyldichlorosilane + methylvinyldichlorosi-lane + toluene and constituent binary systems were measured at 101.3kPa using a new type of magnetical pump-ebulliometer. The equilibrium compositions of the vapor phase of binary systems were calculated indirectly fromthe total pressure-temperature-liquid composition (pTx). The experimental data were correlated with the Wilsonand NRTL(non-random two liquid) equations. The parameters of the Wilson model were employed to predict theternary VLE data. The calculated boiling points were in good agreement with the experimental ones.

  9. Density of Liquid Binary Ni-W Alloys Measured by Modified Sessile Drop Method%用改良静滴法测量液态Ni-W二元合金的密度

    Institute of Scientific and Technical Information of China (English)

    方亮; 肖锋; 陶再南

    2004-01-01

    In order ot provide a scientific base for studying the shrinkage, transport phenomena and macrosegregation during the solidification of an alloy, the density of liquid binary Ni-W alloys with tungsten concentration from 0 to 15 mass% was measured by a modified sessile drop method. It has been found that the density of the liquid Ni-W alloys decreases with increasing temperature, but increases with the increase of tungsten concentration in the alloys. The molar volume of liquid Ni-W binary alloys increases with the increase of temperature and tungsten concentration. The partial molar volume of tungsten in Ni-W binary alloy has been evaluated approximately as (10.80-1.35× 10-3T) × 10-6 m3·mol-1.%为了给研究合金在凝固过程中发生收缩、迁移现象和偏析提供科学依据,我们用改良静滴法对钨浓度为0到15%的液态Ni-W二元合金的密度进行了测量.结果表明:Ni-W二元合金的液态密度随温度的增加而减少,但随合金中钨浓度的增加而增加;液态Ni-W二元合金的摩尔体积随温度和合金中钨浓度的增加而增加.金属钨在Ni-W二元合金中的偏摩尔体积约为(10.80-1.35×10-3T)×10-6m3·mol-1.

  10. Vapor-Liquid Equilibrium of Ethyl Acetate+C_nH_(2n+1)OH(n=1,2,3) Binary Systems at 0.3 MPa

    Institute of Scientific and Technical Information of China (English)

    SUSIAL P.; RODRIGUEZ-HENRIQUEZ J.J.; SOSA-ROSARIO A.; RIOS-SANTANA R.

    2012-01-01

    Vapor-liquid equilibrium data for the binary systems of ethyl acetate + methanol,ethyl acetate + ethanol and ethyl acetate + 1-propanol at 0.3 MPa were determined.The experimental data were verified with the point-to-point test of van Ness(1973).All these systems present an azeotropic point at 0.3 MPa that increases in ester composition for longer alcohol chains.The UNIFAC in different versions and ASOG prediction models were applied.

  11. Correlations of vapor-liquid equilibria for binary systems using SRK-WS-COSMOSAC model%SRK-WS-COSMOSAC模型关联二元体系汽液平衡

    Institute of Scientific and Technical Information of China (English)

    吴选军; 张光旭; 陈佑立; 严书贵; 章育枝

    2011-01-01

    Conductor-like screening model for real solvent (COSMO-RS), based on the quantum mechanics calculation, has already made important progress in some aspects such as predicting saturated vapor pressure of pure substance, vapor-liquid equilibrium and liquid-liquid equilibrium of mixtures. But some parameters of this model are not enough for actual application. Conductor-like screening model of segment activity coefficient (COSMO-SAC), one of the modifications of COSMO-RS, can match thermodynamics consistency at prediction of vapor-liquid equilibrium. In this work, we correlated the vapor-liquid equilibria(VLE) of binary mixtures using Soave-Redlich-Kwong equation of state(SRK EOS) combined with COSMO-SAC model through Wong-Sandler (WS) mixing rule. The binary interaction parameters k12 of various binary systems in this mixing rule were firstly optimized through Newton-Raphson iteration method, which filled up the correlative literature blank. The results for the correlations of VLE of various types of binary systems including alkane and alkane, alkane and alcohol, alkane and ketone, alkane and ester, and alcohol and water,over a wide range of temperature and pressure, indicate that the model with the optimized binary interaction parameters k12 gives better correlation accuracy, whose results are in agreement with the experimental data. The optimized model obviously surpasses the literature model with k12=0 in correlation accuracy, especially for alcohol and water binary systems etc.%基于量子力学计算的真实溶剂似导体屏蔽模型(COSMO-RS)在预测纯组分饱和蒸汽压、混合物汽液平衡、液液平衡等方面已取得重要进展,但在模型参数的优化方面还不尽人意.COSMO-SAC(segment activity coefficient)活度系数模型是COSMO-RS模型的1种改进形式,在汽液平衡预测方面能够符合热力学一致性.本文通过WS混合规则将COSMO-SAC与SRK状态方程结合应用于二元体系汽液平衡数

  12. Classical Mechanics

    OpenAIRE

    Gallavotti, Giovanni

    2012-01-01

    This is the English version of a friendly graduate course on Classical Mechanics, containing about 80% of the material I covered during the January-June 1999 semester at IFUG in the Mexican city of Leon. For the Spanish version, see physics/9906066

  13. Photon transport in binary photonic lattices

    OpenAIRE

    Rodríguez-Lara, B. M.; Moya-Cessa, H.

    2013-01-01

    We present a review on the mathematical methods used to theoretically study classical propagation and quantum transport in arrays of coupled photonic waveguides. We focus on analysing two types of binary photonic lattices where self-energies or couplings are alternated. For didactic reasons, we split the analysis in classical propagation and quantum transport but all methods can be implemented, mutatis mutandis, in any given case. On the classical side, we use coupled mode theory and present ...

  14. Excess molar volumes and deviation in viscosities of binary liquid mixtures of acrylic esters with hexane-1-ol at 303.15 and 313.15 K

    Directory of Open Access Journals (Sweden)

    Sujata S. Patil

    2014-12-01

    Full Text Available Densities and viscosities for the four binary liquid mixtures of methyl acrylate, ethyl acrylate, butyl acrylate and methyl methacrylate with hexane-1-ol at temperatures 303.15 and 313.15 K and at atmospheric pressure were measured over the entire composition range. These values were used to calculate excess molar volumes and deviation in viscosities which were fitted to Redlich–Kister polynomial equation. Recently proposed Jouyban Acree model was also used to correlate the experimental values of density and viscosity. The mixture viscosities were correlated by several semi-empirical approaches like Hind, Choudhary–Katti, Grunberg–Nissan, Tamura and Kurata, McAllister three and four body model equations. A graphical representation of excess molar volumes and deviation in isentropic compressibility shows positive nature whereas deviation in viscosity shows negative nature at both temperatures for all four binary liquid mixtures. Positive values of excess molar volumes show that volume expansion is taking place causing rupture of H-bonds in self associated alcohols. The results were discussed in terms of molecular interactions prevailing in the mixtures.

  15. Evaporative Instability in Binary Mixtures

    Science.gov (United States)

    Narayanan, Ranga; Uguz, Erdem

    2012-11-01

    In this talk we depict the physics of evaporative convection for binary systems in the presence of surface tension gradient effects. Two results are of importance. The first is that a binary system, in the absence of gravity, can generate an instability only when heated from the vapor side. This is to be contrasted with the case of a single component where instability can occur only when heated from the liquid side. The second result is that a binary system, in the presence of gravity, will generate an instability when heated from either the vapor or the liquid side provided the heating is strong enough. In addition to these results we show the conditions at which interfacial patterns can occur. Support from NSF OISE 0968313, Partner Univ. Fund and a Chateaubriand Fellowship is acknowledged.

  16. Isobaric low-pressure vapor-liquid equilibrium data of the system monochloroacetic acid+dichloroacetic acid+diethylene glycol dipentyl ether and the constituent binary systems

    NARCIS (Netherlands)

    Jongmans, Mark; Londono, A.; Schuur, Boelo; de Haan, A.B.

    2012-01-01

    In this study, binary and ternary VLE data have been determined at 5, 7.5, and 10 kPa for the system monochloracetic acid (MCA) + dichloroacetic acid (DCA) + diethylene glycol dipentyl ether (DGDP). The extractant DGDP enhances the relative volatility of the MCA/DCA system from 1.2 without extractan

  17. On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

    CERN Document Server

    Reddy, Sandeep K; Bajaj, Pushp; Pham, C Huy; Riera, Marc; Moberg, Daniel R; Morales, Miguel A; Knight, Chris; Gotz, Andreas W; Paesani, Francesco

    2016-01-01

    The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. In this study, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. Several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure are investigated through classical molecular dynamics simulations as a function of temperature. The structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly inc...

  18. [Classical taxomomies].

    Science.gov (United States)

    Liubarskiĭ, G Iu

    2006-01-01

    The sequence of classic paradigms in taxonomy that partly replaced each other and partly co-exist is given as follows: the theory of "organ and organism similarity", the naturalistic theory, the descriptive theory, and the phylogenetic theory. The naturalistic classics accepted the notion of "the plan of creation". The rejection of appealing to this plan brought forth certain problems in the formulation of the purpose of taxonomy; these problems were differently solved by the descriptive and the phylogenetic classic traditions. The difficulties of the current paradigms arising from the loss of a "strong purpose", a problem to be solved by taxonomists that is to be clear and interesting to a wide range of non-professionals. The paradox of formalization led to the losing of content of the methods due to their formalization. To attract attention to taxonomy, a new "image of the results" of its work that would be interesting to the non-professionals is necessary. The co-existence of different methods of reseach applied to different groups of facts leads to the loss of integrity of the research. It is not only that the taxon becomes a hypothesis and such hypotheses multiply. The comparison of these hypotheses is problematic, because each of them is supported by its own independent scope of facts. Because of the existence of a fundamental meronotaxonomic discrepancy, taxonomic systems based on different groups of characters appear to be incomparable, being rather systems of characters than systems of taxa. Systems of characters are not directly comparable with each other; they can be compared only through appealing to taxa, but taxa themselves exist only in the form of a number of hypotheses. Consequently, each separate taxonomic approach creates its own nature, its own subject of research. Therefore, it is necessary to describe the subject of research correctly (and indicate the purpose of research), as well as to distinguish clearly between results achieved through

  19. CLASSICAL AREAS OF PHENOMENOLOGY: Study on the optical limiting properties of the mixed liquid of carbon black suspensions and green tea solution by multi-pulse laser

    Science.gov (United States)

    Niu Yan-, Xiong; Yang, Hai-Lin; Zhang, Peng; Shen, Xue-Ju; Jiang, Nan; Chen, Yan; Tang, Fang

    2008-09-01

    The optical limiting properties of the mixed liquid of carbon black suspensions (CBS) and green tea solution were studied by using an 8 ns laser pulse at 532 nm. The optical limiting effects of the CBS and mixed liquid have been compared between 5 and 10 Hz repetition frequencies with nanosecond laser pulse. The experimental results indicate that the optical limiting threshold of the sample with the incidence laser at 10 Hz repetition frequency is lower than at 5 Hz repetition frequency. The possible reasons for the influence of the repetition frequency on the samples are discussed. And by observing the optical radiant distributions when the laser pulse passing through different samples, a possible mechanism for the observed effects is suggested. At the same time, the result shows that the optical limiting of CBS is the dominant factor to optical limiting of the mixed liquid.

  20. Experimental determination of the isothermal (vapour + liquid) equilibria of binary aqueous solutions of sec-butylamine and cyclohexylamine at several temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Chiali-Baba Ahmed, Nouria [LATA2M, Laboratoire de Thermodynamique Appliquee et Modelisation Moleculaire, University AbouBekr Belkaid of Tlemcen, Post Office Box 119, Tlemcen 13000 (Algeria); Negadi, Latifa, E-mail: latifanegadi@yahoo.fr [LATA2M, Laboratoire de Thermodynamique Appliquee et Modelisation Moleculaire, University AbouBekr Belkaid of Tlemcen, Post Office Box 119, Tlemcen 13000 (Algeria); Mokbel, Ilham [LSA, Laboratoire des Sciences Analytiques, CNRS-UMR 5280, Universite Claude Bernard - Lyon I, 43, Bd du 11 Novembre 1918, Villeurbanne Cedex 69622 (France); Kaci, Ahmed Ait [Laboratoire de Thermodynamique et Modelisation Moleculaire, Universite des Sciences et de la Technologie Houari Boumediene, Post Office Box 32, El Alia 16111, Bab Ezzouar (Algeria); Jose, Jacques [LSA, Laboratoire des Sciences Analytiques, CNRS-UMR 5280, Universite Claude Bernard - Lyon I, 43, Bd du 11 Novembre 1918, Villeurbanne Cedex 69622 (France)

    2012-01-15

    Highlights: > Vapour pressures of sec-butylamine or cyclohexylamine and their aqueous solutions. > The investigated temperatures are 273 K and 363 K. > The (cyclohexylamine + water) mixture shows positive azeotropic behaviour. > The (sec-butylamine + water) or (cyclohexylamine + water) exhibit positive G{sup E}. - Abstract: The vapour pressures of (sec-butylamine + water), (cyclohexylamine + water) binary mixtures, and of pure sec-butylamine and cyclohexylamine components were measured by means of two static devices at temperatures between 293 (or 273) K and 363 K. The data were correlated with the Antoine equation. From these data, excess Gibbs functions (G{sup E}) were calculated for several constant temperatures and fitted to a fourth-order Redlich-Kister equation using the Barker's method. The (cyclohexylamine + water) system shows positive azeotropic behaviour for all investigated temperatures. The two binary mixtures exhibit positive deviations in G{sup E} for all investigated temperatures over the whole composition range.

  1. Binary neuron with optical devices

    Science.gov (United States)

    Degeratu, Vasile; Degeratu, Ştefania; Şchiopu, Paul; Şchiopu, Carmen

    2009-01-01

    In this paper the authors present a model of binary neuron, a model of McCulloch-Pitts neuron with optical devices. This model of neuron can be implemented not only in the optic integrated circuits but also in the classic optical circuits it being cheap and immune not only into electromagnetic fields but also into any kind of radiation. The transfer speed of information through the neuron is very higher, it being limited only by the light speed from the received medium.

  2. Novel on-line column extraction apparatus coupled with binary peak focusing for high-performance liquid chromatography determination of rifampicin in human plasma: a strategy for therapeutic drug monitoring.

    Science.gov (United States)

    Li, Wei; Peng, Min; Long, Minghui; Qiu, Ximin; Yang, Liping

    2014-12-01

    In order to develop a method that is completely suitable for the routine therapeutic drug monitoring, a sensitive and fully automated on-line column extraction apparatus in combination with high-performance liquid chromatography allowing binary peak focusing was developed and validated for the determination of rifampicin in human plasma. Rifapentine was used as an internal standard. The analytical cycle started with the injection of 100 μL of the sample pretreated by protein precipitation in a Venusil SCX extraction column. After the elution, the analytes were transferred and concentrated in an Xtimate C18 trap column. Finally, the trapped analytes were separated by an Xtimate C18 analytical column and were analyzed by an ultraviolet detector at 336 nm. With this new strategy, continuous on-line analysis of the compounds was successfully performed. The method showed excellent performance for the analysis of rifampicin in plasma samples, including calibration curve linearity (All r were larger than 0.9996), sensitivity (lowest limit of quantification was 0.12 μg/mL), method accuracy (within 6.6% in terms of relative error), and precision (relative standard deviations of intra- and interday precision were less than 7.8%). These results demonstrated that the simple, reliable, and automatic method based on on-line column extraction and binary peak focusing is a promising approach for therapeutic drug monitoring in complex biomatrix samples.

  3. Investigation of critical lines and global phase behavior of unequal size of molecules in binary gas-liquid mixtures in the combined pressure-temperature-concentration planes around the van Laar point

    Science.gov (United States)

    Gençaslan, Mustafa; Keskin, Mustafa

    2016-09-01

    We investigate critical curves and global phase behavior of unequal size of molecules in binary gas-liquid mixtures at the van Laar point and its vicinity. The van Laar point is only point at which the mathematical double point curve is stable, and also the intersection of the tricritical point and the double critical end point. The critical line structure is displayed for various combinations of the chain length and system parameters in the reduced pressure (P∗) temperature (T∗) plane, as is usually done with experimental results and temperature-concentration (T, x) plane. The P∗,T∗ diagrams are discussed in accordance with the Scott and van Konynenburg binary phase diagram classification. We found that our P∗,T∗ plots correspond to the type II, type III, type IV phase diagram behaviors and they are in good agreement with the theoretical and experimental studies. It is also found that the critical lines and phase behavior are extremely sensitive to small modifications in the system parameters.

  4. Busting Up Binaries: Encounters Between Compact Binaries and a Supermassive Black Hole

    CERN Document Server

    Addison, Eric; Larson, Shane

    2015-01-01

    Given the stellar density near the galactic center, close encounters between compact object binaries and the supermassive black hole are a plausible occurrence. We present results from a numerical study of close to 13 million such encounters. Consistent with previous studies, we corroborate that, for binary systems tidally disrupted by the black hole, the component of the binary remaining bound to the hole has eccentricity ~ 0.97 and circularizes dramatically by the time it enters the classical LISA band. Our results also show that the population of surviving binaries merits attention. These binary systems experience perturbations to their internal orbital parameters with potentially interesting observational consequences. We investigated the regions of parameter space for survival and estimated the distribution of orbital parameters post-encounter. We found that surviving binaries harden and their eccentricity increases, thus accelerating their merger due gravitational radiation emission and increasing the p...

  5. Non-binary Entanglement-assisted Stabilizer Quantum Codes

    CERN Document Server

    Riguang, Leng

    2011-01-01

    In this paper, we show how to construct non-binary entanglement-assisted stabilizer quantum codes by using pre-shared entanglement between the sender and receiver. We also give an algorithm to determine the circuit for non-binary entanglement-assisted stabilizer quantum codes and some illustrated examples. The codes we constructed do not require the dual-containing constraint, and many non-binary classical codes, like non-binary LDPC codes, which do not satisfy the condition, can be used to construct non-binary entanglement-assisted stabilizer quantum codes.

  6. Structure of the glass-forming metallic liquids by ab-initio and classical molecular dynamics, a case study: Quenching the Cu60Ti20Zr20 alloy

    Science.gov (United States)

    Amokrane, S.; Ayadim, A.; Levrel, L.

    2015-11-01

    We consider the question of the amorphization of metallic alloys by melt quenching, as predicted by molecular dynamics simulations with semi-empirical potentials. The parametrization of the potentials is discussed on the example of the ternary Cu-Ti-Zr transition metals alloy, using the ab-initio simulation as a reference. The pair structure in the amorphous state is computed from a potential of the Stillinger-Weber form. The transferability of the parameters during the quench is investigated using two parametrizations: from solid state data, as usual and from a new parametrization on the liquid structure. When the adjustment is made on the pair structure of the liquid, a satisfactory transferability is found between the pure components and their alloys. The liquid structure predicted in this way agrees well with experiment, in contrast with the one obtained using the adjustment on the solid. The final structure, after quenches down to the amorphous state, determined with the new set of parameters is shown to be very close to the ab-initio one, the latter being in excellent agreement with recent X-rays diffraction experiments. The corresponding critical temperature of the glass transition is estimated from the behavior of the heat capacity. Discussion on the consistency between the structures predicted using semi-empirical potentials and ab-initio simulation, and comparison of different experimental data underlines the question of the dependence of the final structure on the thermodynamic path followed to reach the amorphous state.

  7. Surface tension of non-ideal binary and ternary liquid mixtures at various temperatures and p = 81.5 kPa

    Energy Technology Data Exchange (ETDEWEB)

    Rafati, A.A., E-mail: rafati_aa@yahoo.co [Department of Physical Chemistry, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 65174 (Iran, Islamic Republic of); Bagheri, A. [Department of Physical Chemistry, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 65174 (Iran, Islamic Republic of); Najafi, M. [Department of Material Engineering, Hamedan University of Technology, Hamedan (Iran, Islamic Republic of)

    2011-03-15

    Experimental surface tensions for binary mixtures (1,2-ethandiol + water), (1,2-ethandiol + acetonitrile), and (acetonitrile + water) at temperatures of 283.15 K, 298.15 K, and 308.15 K and the ternary mixture (1,2-ethandiol/water/acetonitrile) at 298.15 K have been measured with the Du Nouey ring tensiometer. The surface tension of the above mentioned binary and ternary systems were correlated with empirical and thermodynamic based models. The methods of Pando et al. and Ku et al. were used to correlate the ternary surface tension data. The Fu et al., Kalies et al. and Wang et al. models were also applied to predict surface tension in the ternary system. The mean average absolute deviations obtained from the comparison of experimental and calculated surface tension values for ternary system with three models are less than 2.4%, which leads to concluding that these models show a good accuracy in different situations in comparison with other predictive equations.

  8. Phase separation in polymer solutions. I. Liquid-liquid phase separation of PPO poly (2, 6-dimethyl 1, 4-phenylene oxide) in binary mixtures with toluene and ternary mixtures with toluene and ethyl alcohol

    NARCIS (Netherlands)

    Emmerik, van P.T.; Smolders, C.A.

    1972-01-01

    In the system poly(2, 6-dimethy1-1, 4-phenylene oxide) (PPO)-toluene three phase separation lines can be detected: the melting point curve, the cloud point curve, and the spinodial. Because crystallization of PPO occurs very slowly, a phase transition will always be initiated by liquid-liquid phase

  9. Phase separation in polymer solutions. I. Liquid-liquid phase separation of PPO poly (2, 6-dimethyl 1, 4-phenylene oxide) in binary mixtures with toluene and ternary mixtures with toluene and ethyl alcohol

    NARCIS (Netherlands)

    van Emmerik, P.T.; Smolders, C.A.

    1972-01-01

    In the system poly(2, 6-dimethy1-1, 4-phenylene oxide) (PPO)-toluene three phase separation lines can be detected: the melting point curve, the cloud point curve, and the spinodial. Because crystallization of PPO occurs very slowly, a phase transition will always be initiated by liquid-liquid phase

  10. Determination and modelling of osmotic coefficients and vapour pressures of binary systems 1- and 2-propanol with C{sub n}MimNTf{sub 2} ionic liquids (n = 2, 3, and 4) at T = 323.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Calvar, Noelia [LSRE - Laboratory of Separation and Reaction Engineering, Associate Laboratory, LSRE/LCM, Department of Chemical Engineering, Faculty of Engineering, Rua Dr. Roberto Frias s/n, Porto 4200-465 (Portugal); Gomez, Elena; Dominguez, Angeles [Advanced Separation Processes Group, Department of Chemical Engineering, University of Vigo, 36310 Vigo (Spain); Macedo, Eugenia A., E-mail: eamacedo@fe.up.pt [LSRE - Laboratory of Separation and Reaction Engineering, Associate Laboratory, LSRE/LCM, Department of Chemical Engineering, Faculty of Engineering, Rua Dr. Roberto Frias s/n, Porto 4200-465 (Portugal)

    2011-08-15

    Highlights: > Osmotic coefficients of 1- and 2-propanol with C{sub n}MimNTf{sub 2} (n = 2, 3, and 4) are determined. > Experimental data were correlated with extended Pitzer model of Archer and MNRTL. > Mean molal activity coefficients and excess Gibbs free energies were calculated. > Effect of the anion is studied comparing these results with literature. - Abstract: The osmotic and activity coefficients and vapour pressures of binary mixtures containing 1-propanol, or 2-propanol and imidazolium-based ionic liquids with bis(trifluoromethylsulfonyl)imide as anion (1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, C{sub 2}MimNTf{sub 2}, 1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide, C{sub 3}MimNTf{sub 2}, and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, C{sub 4}MimNTf{sub 2}) were determined at T = 323.15 K using the vapour pressure osmometry technique. The experimental osmotic coefficients were correlated using the extended Pitzer model modified by Archer and the MNRTL model, obtaining standard deviations lower than 0.033 and 0.064, respectively. The mean molal activity coefficients and the excess Gibbs free energy for the mixtures studied were calculated from the parameters of the extended Pitzer model modified by Archer. Besides the effect of the alkyl-chain of the cation, the effect of the anion can be assessed comparing the experimental results with those previously obtained for imidazolium ionic liquids with sulphate anions.

  11. Binary effectivity rules

    DEFF Research Database (Denmark)

    Keiding, Hans; Peleg, Bezalel

    2006-01-01

    is binary if it is rationalized by an acyclic binary relation. The foregoing result motivates our definition of a binary effectivity rule as the effectivity rule of some binary SCR. A binary SCR is regular if it satisfies unanimity, monotonicity, and independence of infeasible alternatives. A binary...... effectivity rule is regular if it is the effectivity rule of some regular binary SCR. We characterize completely the family of regular binary effectivity rules. Quite surprisingly, intrinsically defined von Neumann-Morgenstern solutions play an important role in this characterization...

  12. A Demonstration of the Continuous Phase (Second-Order) Transition of a Binary Liquid System in the Region around Its Critical Point

    Science.gov (United States)

    Johnson, Michael R.

    2006-01-01

    In most general chemistry and introductory physical chemistry classes, critical point is defined as that temperature-pressure point on a phase diagram where the liquid-gas interface disappears, a phenomenon that generally occurs at relatively high temperatures or high pressures. Two examples are: water, with a critical point at 647 K (critical…

  13. Mixed quantum/classical approach to OH-stretch inelastic incoherent neutron scattering spectroscopy for ambient and supercooled liquid water and ice Ih

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-07-07

    OH-stretch inelastic incoherent neutron scattering (IINS) has been measured to determine the vibrational density of states (VDOS) in the OH-stretch region for liquid water, supercooled water, and ice Ih, providing complementary information to IR and Raman spectroscopies about hydrogen bonding in these phases. In this work, we extend the combined electronic-structure/molecular-dynamics (ES/MD) method, originally developed by Skinner and co-workers to simulate OH-stretch IR and Raman spectra, to the calculation of IINS spectra with small k values. The agreement between theory and experiment in the limit k → 0 is reasonable, further validating the reliability of the ES/MD method in simulating OH-stretch spectroscopy in condensed phases. The connections and differences between IINS and IR spectra are analyzed to illustrate the advantages of IINS over IR in estimating the OH-stretch VDOS.

  14. Thermoacoustic, Volumetric, and Viscometric Investigations in Binary Liquid System of Cyclohexanone with Benzyl Benzoate at T = 308.15, 313.15, and 318.15 K

    Directory of Open Access Journals (Sweden)

    Sk. Md Nayeem

    2014-01-01

    Full Text Available Ultrasonic velocities (u, densities (ρ, and viscosities (η of binary liquid mixtures of cyclohexanone with benzyl benzoate, including pure liquids, over the entire composition range have been measured at 308.15 K, 313.15 K, and 318.15 K. Using the experimental results, parameters such as molar volume (Vm, isentropic compressibility (ks, intermolecular free length (Lf, acoustic impedance (Z, internal pressure (πi, enthalpy (H, Gibbs free energy of activation of viscous flow (G*E, and excess/deviation properties of these including partial molar volumes (V-m,1 and V-m,2, excess partial molar volumes (V-m,1E and V-m,2E, partial molar volume of the components at infinite dilution (V-m,1∞, V-m,2∞, and excess partial molar volume at infinite dilution (V-m,1E,∞and V-m,2E,∞ have been computed. The observed negative values of VmE, Δks, LfE, and πiE and positive values of zE, HE, ΔG*E, Δη, and Δu for all the liquid mixtures studied clearly indicate the presence of strong dipole-dipole-type interactions, fitting of smaller molecules into bigger molecules. Further theoretical values of sound velocity and viscosity in the mixtures have been evaluated using various theories and have been compared with experimental values to verify the applicability of such theories to the systems studied.

  15. Binary Cu-Zr Bulk Metallic Glasses

    Institute of Scientific and Technical Information of China (English)

    TANG Mei-Bo; ZHAO De-Qian; PAN Ming-Xiang; WANG Wei-Hua

    2004-01-01

    @@ We report that bulk metallic glasses (BMGs) can be produced up to 2 mm by a copper mould casting in Cux Zr1-x binary alloy with a wide glass forming composition range (45 < x < 60 at.%). We find that the formation mechanism for the binary Cu-Zr binary BMG-forming alloy is obviously different from that of the intensively studied multicomponent BMGs. Our results demonstrate that the criteria for the multicomponent alloys with composition near deep eutectic and strong liquid behaviour are no longer the major concern for designing BMGs.

  16. Vapor-liquid equilibria for the binary systems of 1-butanol with some halohydrocarbons at 40.0 and 101.3 kPa

    Energy Technology Data Exchange (ETDEWEB)

    Artigas, H.; Lafuente, C.; Cea, P.; Royo, F.M.; Urieta, J.S. [Univ. de Zaragoza (Spain)

    1997-01-01

    Isobaric vapor-liquid equilibrium measurements at 40.0 and 101.3 kPa are reported for 1-butanol + chlorocyclohexane, + chlorobenzene, + bromocyclohexane, + bromobenzene. Some of the studied systems show minimum temperature azeotropes. The experimental data were tested for thermodynamic consistency and satisfactorily correlated with the Margules, Van Laar, Wilson, NRTL, and UNIQUAC equations. Predictions with the UNIFAC method and ASOG method were also obtained.

  17. Isothermal Vapor-liquid Equilibria for the Binary System Maleic Anhydride+Di-n-butylsebacate%顺丁烯二酸酐-癸二酸二丁酯二元体系等温气液平衡

    Institute of Scientific and Technical Information of China (English)

    朱荣娇; 刘淑参; 季甲; 田宜灵

    2009-01-01

    Vapor-liquid equilibrium(VLE) data for maleic anhydride (MAN) and its absorption solvents are important for developing and researching the MAN production process. Isothermal VLE data for MAN and di-n-butylsebacate(DBS) binary system at 413.15, 433.15 and 453.15 K were determined with a modified ebulliometer in this work. Saturated pressure of pure DBS and MAN were measured and their Antoine constants were obtained. The experimental results were correlated and calculated using the NRTL model. The UNIFAC model was also used to predict the VLE data. At the same time, the parameters of the NRTL model for the MAN(l) +DBS(2) binary system were obtained. And the predicted results show a good agreement between the correlated data and the experimental data.%利用改进的沸点仪测定了顺酐-癸二酸二丁酯二元体系在413.15, 433.15和453.15 K下的等温气液平衡数据以及纯癸二酸二丁酯和顺酐的饱和蒸气压数据. 通过与文献值对比, 验证了此方法的可靠性. 同时, 将实验数据回归得到了纯癸二酸二丁酯和顺酐的Antoine常数. 利用NRTL方程进行了气液平衡数据的关联推算, 得到了顺酐-癸二酸二丁酯二元体系的NRTL模型参数. 利用UNIFAC基团贡献法对实验数据进行了预测, 其结果与实验值及运用NRTL方程拟合的结果吻合较好.

  18. Relaxation phenomena of binary polar liquid mixture in C6H6 from conductivity of solution measured at 10 GHz electric field

    Science.gov (United States)

    Sahoo, S.; Sit, S. K.

    2010-11-01

    The dielectric relaxation times τ jk 's and dipole moments µ jk 's of the binary ( jk) polar mixtures of N,N-dimethyl formamide (DMF) and pyridine dissolved in benzene ( i) are estimated using linear slope of σ jk ″ - σ ijk ' curves as well as ratio of slopes of σ ijk ″ - w jk and σ ijk ″ - w jk curves at w jk → 0 for different mole fractions τ jk 's of pyridine and experimental temperatures under 9.875 GHz electric field. The measured µ jk 's and τ jk 's agree well with the reported values validating the proposed methods. The solute-solute (dimer) molecular associations are inferred from the plot of τ jk - x j and µ jk - x j curves for x j = 0.0 to 0.5 of pyridine and thereafter solute-solvent (monomer) molecular association occurs. The theoretical µtheo's are calculated to predict solute-solute and solute-solvent molecular association. The µ jk - T curves are drawn to show elongation of bond angles and bond moments with temperatures. The thermodynamic energy parameters are calculated from Eyring's rate theory equations to know the molecular dynamics as well as to ascertain Debye-Smyth relaxation mechanism of the systems.

  19. High performance liquid chromatography for the simultaneous analysis of penicillin residues in beef and milk using ion-paired extraction and binary water-acetonitrile mixture.

    Science.gov (United States)

    Kukusamude, Chunyapuk; Burakham, Rodjana; Chailapakul, Orawon; Srijaranai, Supalax

    2012-04-15

    An ion-paired extraction (IPE) has been developed for the analysis of penicillin antibiotics (penicillin G, oxacillin and cloxacillin) in beef and milk samples using tetrabutylammonium bromide (TBABr) as ion-pairing agent and binary water-acetonitrile as extractant. The factors affecting the IPE efficiency were optimized including solution pH, volume of acetonitrile (ACN), concentration of TBABr and electrolyte salt (NH(4))(2)SO(4). The optimum IPE conditions were 10 mmol L(-1) phosphate buffer pH 8, 2 mL of ACN, 6 mmol L(-1) of TBABr and 2.5 mL of saturated ammonium sulfate. Under the HPLC condition: an Xbridge™ C18 reversed-phase column, isocratic elution of 5 mmol L(-1) phosphate buffer (pH 6.6) and acetonitrile (75:25, v/v) and a flow rate of 1 mL min(-1), with UV detection at 215 nm, the separation of three penicillins was achieved within 10 min. Under the selected optimum conditions, the enhancement of 21-53 folds compared to that without preconcentration and limits of detection (LODs) of 1-2 ng mL(-1) were obtained. Good reproducibility was achieved with RSDpenicillin residues in beef and milk with LOD lower than the maximum residue limits.

  20. Slim Sets of Binary Trees

    CERN Document Server

    Grünewald, Stefan

    2010-01-01

    A classical problem in phylogenetic tree analysis is to decide whether there is a phylogenetic tree $T$ that contains all information of a given collection $\\cP$ of phylogenetic trees. If the answer is "yes" we say that $\\cP$ is compatible and $T$ displays $\\cP$. This decision problem is NP-complete even if all input trees are quartets, that is binary trees with exactly four leaves. In this paper, we prove a sufficient condition for a set of binary phylogenetic trees to be compatible. That result is used to give a short and self-contained proof of the known characterization of quartet sets of minimal cardinality which are displayed by a unique phylogenetic tree.

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

    Energy Technology Data Exchange (ETDEWEB)

    Falcon, J.; Ortega, J.; Gonzalez, E. [Escuela Superior de Ingenieros Industriales, Las Palmas (Spain). Laboratorio de Termodinamica y Fisicoquimica

    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.

  2. Vapor-liquid equilibrium measurements at 101. 32 kPa for binary mixtures of methyl acetate + ethanol or 1-propanol

    Energy Technology Data Exchange (ETDEWEB)

    Ortega, J.: Susial, P.; de Alfonso, C. (Catedra de Termodinamica y Fisicoquimica, Escuela Superior de Ingeieros Industriales, 35071 Univ. of Las Palmas (ES))

    1990-07-01

    This paper reports on isobaric vapor-liquid equilibrium data at 101.32 {plus minus} 0.02 kPa for methyl acetate (1) + ethane (2) or + 1-propanol (2). The results are compared with those predicted by the UNIFAC and ASOG methods. The methyl acetate (1) + ethanol (2) system forms an azeotrope at 329.8 K and a molar concentration of x{sub 1} = 0.958. Both methods predict the vapor-phase compositions equally well, with overall mean errors of less than 5%.

  3. Comparison of electrochemical methods for triiodide diffusion coefficient measurements and observation of non-Stokesian diffusion behaviour in binary mixtures of two ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Zistler, M.; Wachter, P.; Gores, H.J. [Institut fuer Physikalische und Theoretische Chemie der Universitaet Regensburg, Regensburg (Germany); Wasserscheid, P.; Gerhard, D. [Institut fuer Chemische Reaktionstechnik, Friedrich-Alexander-Universitaet, Erlangen-Nuernberg (Germany); Hinsch, A. [Fraunhofer Institute for Solar Energy Systems ISE, Freiburg (Germany). Department of Materials Research and Applied Optics; Sastrawan, R. [Freiburg Materials Research Center, Freiburg (Germany)

    2006-10-05

    Results of diffusion coefficient measurements of triiodide in a mixture of two ionic liquids (1-methyl-3-propylimidazolium iodide and 1-butyl-3-methylimidazolium tetrafluoroborate) at 25{sup o}C are described in this paper. Four electrochemical methods for measuring diffusion coefficients of triiodide were evaluated for their reliability and performance, including impedance spectroscopy and polarization measurements at thin layer cells as well as cyclic voltammetry and chronoamperometry at microelectrodes of different radii. Viscosities of the blends were measured to investigate the transport behaviour of triiodide ions used in Gratzel-type dye-sensitized solar cells. (author)

  4. General simulation algorithm for autocorrelated binary processes

    Science.gov (United States)

    Serinaldi, Francesco; Lombardo, Federico

    2017-02-01

    The apparent ubiquity of binary random processes in physics and many other fields has attracted considerable attention from the modeling community. However, generation of binary sequences with prescribed autocorrelation is a challenging task owing to the discrete nature of the marginal distributions, which makes the application of classical spectral techniques problematic. We show that such methods can effectively be used if we focus on the parent continuous process of beta distributed transition probabilities rather than on the target binary process. This change of paradigm results in a simulation procedure effectively embedding a spectrum-based iterative amplitude-adjusted Fourier transform method devised for continuous processes. The proposed algorithm is fully general, requires minimal assumptions, and can easily simulate binary signals with power-law and exponentially decaying autocorrelation functions corresponding, for instance, to Hurst-Kolmogorov and Markov processes. An application to rainfall intermittency shows that the proposed algorithm can also simulate surrogate data preserving the empirical autocorrelation.

  5. 液态Pb-Cu合金结构与扩散性质的分子动力学模拟%Molecular Dynamics Simulation on Structural and Transport Properties of Binary Liquid Pb-Cu Alloy

    Institute of Scientific and Technical Information of China (English)

    刘媛媛; 贾国斌; 杨斌; 刘大春

    2011-01-01

    通过分子动力学方法模拟液态Pb-Cu合金的熔体结构,得到液态合金的对相关函数曲线、配位数和相关半径,并用于分析合金熔体内部的结构.同时将NRTL方程与分子动力学方法结合,提出一种计算合金互扩散系数的新方法,使用该方法计算得到了Pb-Cu合金的自扩散与互扩散系数,并分析了熔体结构对合金扩散性质的影响.%The structure of binary Pb-Cu liquid was studied using molecular dynamics simulation method. The pair distribution function, coordination number and coordination radius were calculated to analyze the melt structure. By combining the molecular dynamics method and NRTL equation, a new method of computing the mutual diffusion coefficients was obtained. The self and mutual diffusion coefficients of Pb-Cu melt were computed with this method. Moreover the effect of the melt structure on diffusion coefficients was analyzed.

  6. Critical lines for an unequal size of molecules in a binary gas-liquid mixture around the van Laar point using the combination of the Tompa model and the van der Waals equation.

    Science.gov (United States)

    Gençaslan, Mustafa; Keskin, Mustafa

    2012-02-14

    We combine the modified Tompa model with the van der Waals equation to study critical lines for an unequal size of molecules in a binary gas-liquid mixture around the van Laar point. The van Laar point is coined by Meijer and it is the only point at which the mathematical double point curve is stable. It is the intersection of the tricritical point and the double critical end point. We calculate the critical lines as a function of χ(1) and χ(2), the density of type I molecules and the density of type II molecules for various values of the system parameters; hence the global phase diagrams are presented and discussed in the density-density plane. We also investigate the connectivity of critical lines at the van Laar point and its vicinity and discuss these connections according to the Scott and van Konynenburg classifications. It is also found that the critical lines and phase behavior are extremely sensitive to small modifications in the system parameters.

  7. 运用人工神经网络关联二元混合物中气液相平衡%Correlation of Vapour Liquid Equilibria of Binary Mixtures Using Artificial Neural Networks

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    In this paper, a back propagation artificial neural network (BP-ANN) model is presented for the simultaneous estimation of vapour liquid equilibria (VLE) of four binary systems viz chlorodifluoromethan-carbondioxide,trifluoromethan-carbondioxide, carbondisulfied-trifluoromethan and carbondisulfied-chlorodifluoromethan. VLE data of the systems were taken from the literature for wide ranges of temperature (222.04-343.23 K) and pressure (0.105 to 7.46 MPa). BP-ANN trained by the Levenberg-Marquardt algorithm in the MATLAB neural network toolbox was used for building and optimizing the model. It is shown that the established model could estimate the VLE with satisfactory precision and accuracy for the four systems with the root mean square error in the range of 0.054-0.119. Predictions using BP-ANN were compared with the conventional Redlich-Kwang-Soave (RKS)equation of state, suggesting that BP-ANN has better ability in estimation as compared with the RKS equation (the root mean square error in the range of 0.115-0.1546).

  8. Compressed liquid densities and excess molar volumes for (CO{sub 2} + 1-pentanol) binary system at temperatures from 313 to 363 K and pressures up to 25 MPa

    Energy Technology Data Exchange (ETDEWEB)

    Zuniga-Moreno, Abel [Instituto Politecnico Nacional, ESIQIE, Laboratorio de Termodinamica, Edif. Z, Secc. 6, 1er piso, UPALM Zacatenco, 07738, Lindavista, Mexico, D.F. (Mexico); Galicia-Luna, Luis A. [Instituto Politecnico Nacional, ESIQIE, Laboratorio de Termodinamica, Edif. Z, Secc. 6, 1er piso, UPALM Zacatenco, 07738, Lindavista, Mexico, D.F. (Mexico)], E-mail: lgalicial@ipn.mx; Sandler, Stanley I. [Department of Chemical Engineering, University of Delaware, Newark, DE 19716-3119 (United States)

    2008-02-15

    Measurements of compressed liquid densities for 1-pentanol and for {l_brace}CO{sub 2} (1) + 1-pentanol (2){r_brace} system were carried out at temperatures from 313 K to 363 K and pressures up to 25 MPa. Densities were measured for binary mixtures at 10 different compositions, x{sub 1} = 0.0816, 0.1347, 0.3624, 0.4651, 0.6054, 0.7274, 0.8067, 0.8573, 0.9216, and 0.9757. A vibrating tube densimeter was used to perform density measurements using two reference calibration fluids. The uncertainty is estimated to be better than {+-}0.2 kg . m{sup -3} for the experimental density measurements. For each mixture and for 1-pentanol, the experimental densities were correlated using an explicit volume equation of six parameters and an 11-parameter equation of state (EoS). Excess molar volumes were determined for the (CO{sub 2} + 1-pentanol) system using 1-pentanol densities calculated from the 11-parameter EoS and CO{sub 2} densities calculated from a multiparameter reference EoS.

  9. Confidence intervals for the weighted kappa coefficient of a binary diagnostic test

    OpenAIRE

    Roldán Nofuentes, José Antonio; Luna Del Castillo, Juan De Dios; Montero Alonso, Miguel Angel; Alvarado Castro, Victor Manuel

    2009-01-01

    Abstract Sensitivity and specificity are classic parameters to assess the performance of a binary diagnostic test. Another useful parameter to measure the performance of a binary test is the weighted kappa coefficient, which is a measure of the classificatory agreement between the binary test and the gold standard. Various confidence intervals are proposed for the weighted kappa coefficient when the binary test and the gold standard are applied to all of the patients in a random sa...

  10. Extraction of Doxycycline Hydrochloride Using Alcohol and Ionic Liquid Binary Aqueous Two Phase System%醇与离子液体二元双水相体系萃取盐酸多西环素

    Institute of Scientific and Technical Information of China (English)

    关卫省; 黎文娟; 韩娟

    2012-01-01

    Based on the molecular alcohol aqueous two-phase system and the ionic liquid aqueous two-phase system, the new method of using n-propanol and hydrophilic ionic liquid(1-butyl-3-methylimidazolium tetrafluoroborate, [Bmim]BF4) with (NH4)2SO4 binary aqueous two phase system for the extraction of doxycycline hydrochloride was developed. The influence factors on partition behaviors of doxycycline hydrochloride were studied, including concentration of (NH4)2SO4, n-propanol con-sumption, pH value, concentration of ionic liquid and doxycycline hydrochloride. The results showed that when using pH value of 4. 0 - 5. 0, (NH4) 2SO4 concentration of 34% and doxycycline hydrochloride concentration between 25 -95 mg/L, the extraction rate and distribution coefficient of doxycycline hydrochloride will be up to 90. 26% -95. 71% and 62. 452 - 149. 401, respectively.%基于小分子醇双水相体系和离子液体双水相体系,建立了正丙醇与亲水性离子液体1-丁基-3-甲基咪唑四氟硼酸[ Bmim]BF4和(NH4 )2SO4形成的二元双水相体系萃取盐酸多西环素的新方法.考察了(NH4)2SO4含量、正丙醇用量、pH值、离子液体含量以及盐酸多西环素含量对盐酸多西环素分配行为的影响.结果表明:当醇和离子液体二元双水相体系的pH值在4.0~5.0范围内,(NH4)2SO4含量为34%,且盐酸多西环素的质量浓度在25 ~ 95 mg/L之间时,该体系对盐酸多西环素的萃取率可达90.26% ~95.71%,分配系数可达62.452 ~ 149.401.

  11. What Is a Simple Liquid?

    Science.gov (United States)

    Ingebrigtsen, Trond S.; Schrøder, Thomas B.; Dyre, Jeppe C.

    2012-01-01

    This paper is an attempt to identify the real essence of simplicity of liquids in John Locke’s understanding of the term. Simple liquids are traditionally defined as many-body systems of classical particles interacting via radially symmetric pair potentials. We suggest that a simple liquid should be defined instead by the property of having strong correlations between virial and potential-energy equilibrium fluctuations in the NVT ensemble. There is considerable overlap between the two definitions, but also some notable differences. For instance, in the new definition simplicity is not a direct property of the intermolecular potential because a liquid is usually only strongly correlating in part of its phase diagram. Moreover, not all simple liquids are atomic (i.e., with radially symmetric pair potentials) and not all atomic liquids are simple. The main part of the paper motivates the new definition of liquid simplicity by presenting evidence that a liquid is strongly correlating if and only if its intermolecular interactions may be ignored beyond the first coordination shell (FCS). This is demonstrated by NVT simulations of the structure and dynamics of several atomic and three molecular model liquids with a shifted-forces cutoff placed at the first minimum of the radial distribution function. The liquids studied are inverse power-law systems (r-n pair potentials with n=18,6,4), Lennard-Jones (LJ) models (the standard LJ model, two generalized Kob-Andersen binary LJ mixtures, and the Wahnstrom binary LJ mixture), the Buckingham model, the Dzugutov model, the LJ Gaussian model, the Gaussian core model, the Hansen-McDonald molten salt model, the Lewis-Wahnstrom ortho-terphenyl model, the asymmetric dumbbell model, and the single-point charge water model. The final part of the paper summarizes properties of strongly correlating liquids, emphasizing that these are simpler than liquids in general. Simple liquids, as defined here, may be characterized in three quite

  12. Quaternary ammonium room-temperature ionic liquid including an oxygen atom in side chain/lithium salt binary electrolytes: ab initio molecular orbital calculations of interactions between ions.

    Science.gov (United States)

    Tsuzuki, Seiji; Hayamizu, Kikuko; Seki, Shiro; Ohno, Yasutaka; Kobayashi, Yo; Miyashiro, Hajime

    2008-08-14

    Interactions of the lithium bis(trifluoromethylsulfonyl)amide (LiTFSA) complex with N, N-diethyl-N-methyl-N-(2-methoxyethyl) ammonium (DEME), 1-ethyl-3-methylimidazolium (EMIM) cations, neutral diethylether (DEE), and the DEMETFSA complex were studied by ab initio molecular orbital calculations. An interaction energy potential calculated for the DEME cation with the LiTFSA complex has a minimum when the Li atom has contact with the oxygen atom of DEME cation, while potentials for the EMIM cation with the LiTFSA complex are always repulsive. The MP2/6-311G**//HF/6-311G** level interaction energy calculated for the DEME cation with the LiTFSA complex was -18.4 kcal/mol. The interaction energy for the neutral DEE with the LiTFSA complex was larger (-21.1 kcal/mol). The interaction energy for the DEMETFSA complex with LiTFSA complex is greater (-23.2 kcal/mol). The electrostatic and induction interactions are the major source of the attraction in the two systems. The substantial attraction between the DEME cation and the LiTFSA complex suggests that the interaction between the Li cation and the oxygen atom of DEME cation plays important roles in determining the mobility of the Li cation in DEME-based room temperature ionic liquids.

  13. Feasibility of using gravimetry to measure excess adsorption effects of a binary solvent system in a reversed-phase high-performance liquid chromatography column.

    Science.gov (United States)

    Loeser, Eric; Babiak, Stanislaw; Liu, Zhaoxia; Girgis, Michael; Drumm, Patrick

    2009-05-01

    A modified method for weighing HPLC columns filled with solvent is described. The method prevents the loss of traces of solvent from within the threads of the column. The method was tested by obtaining the weights of a C18 column filled with 10 different organic solvents, showing a standard deviation on the order of 0.1%. A plot of gross column weight versus solvent density showed excellent linearity. The method was then used to weigh a column filled with several acetonitrile-water mixtures. The gross column weights were lower than would have been predicted from the density of the acetonitrile-water mixtures. A likely explanation is the existence of an adsorbed acetonitrile-rich liquid on the surface of the C18 adsorbent, which caused the lower than expected weights due to the lower density of pure acetonitrile relative to the bulk mixtures. The volume of pure acetonitrile required for the observed weight discrepancy was calculated. Based on the surface area of the column adsorbent, values of micromoles acetonitrile per square meter of surface area were determined. The values showed reasonable agreement with values obtained from published adsorption isotherm studies. This suggests that pycnometry may be a useful technique for adsorption studies. The limitations of the technique are discussed.

  14. 二组分气-液平衡相图实验的绿色化研究%Research on green revolution of a binary gas-liquid equilibrium phase diag ram

    Institute of Scientific and Technical Information of China (English)

    苑娟; 万焱; 褚意新

    2013-01-01

    从实验装置、实验体系、试剂配制、数据测量等方面阐述了二组分气-液平衡相图实验的绿色化改革措施。低压恒流电源的引入,大大降低了沸点仪中电加热丝的熔断率;通过将若干沸点仪串联,增加了同组学生独立操作实验的机会,同时达到了节约用水、缩短实验时间的目的;正丙醇-水实验体系的选择体现了实验绿色化的理念;提前配制法和逐次添加法等试剂配制方式的灵活使用显著提高了试剂利用率;数据测量时的恰当处理有效避免了学生人为错误对实验的影响。实践证明该方案简便实用、效果显著,值得推广和借鉴。%Green reform measures in a binary gas-liquid equilibrium phase diagram experiment are elaborated on from experimental device ,experimental system ,reagent preparation ,data measurement ,etc .The fusing chance of the electric heating wire in ebulliometer is greatly reduced by introducing low-voltage constant current power supply .Opportunities for students operating experiments independently are increased by certain ebulliometer series .At the same time ,the purpose of water conservation and experimental time reducing is achieved .The choice of n-propanol-water binary system reflects the idea of experimental green . Reagent utilization is greatly improved by flexible choice of advance preparation or successive addition methods of reagent preparation .The influence of students’ subjective error to experiment is effectively avoided by proper treatment of data measurement .It is shown that the program is simple ,practical ,and the effect is significant , and it is worth spreading and using for reference .

  15. Eclipsing binaries in open clusters

    DEFF Research Database (Denmark)

    Southworth, John; Clausen, J.V.

    2006-01-01

    Stars: fundamental parameters - Stars : binaries : eclipsing - Stars: Binaries: spectroscopic - Open clusters and ass. : general Udgivelsesdato: 5 August......Stars: fundamental parameters - Stars : binaries : eclipsing - Stars: Binaries: spectroscopic - Open clusters and ass. : general Udgivelsesdato: 5 August...

  16. What classicality? Decoherence and Bohr's classical concepts

    CERN Document Server

    Schlosshauer, Maximilian

    2010-01-01

    Niels Bohr famously insisted on the indispensability of what he termed "classical concepts." In the context of the decoherence program, on the other hand, it has become fashionable to talk about the "dynamical emergence of classicality" from the quantum formalism alone. Does this mean that decoherence challenges Bohr's dictum and signifies a break with the Copenhagen interpretation-for example, that classical concepts do not need to be assumed but can be derived? In this paper we'll try to shine some light down the murky waters where formalism and philosophy cohabitate. To begin, we'll clarify the notion of classicality in the decoherence description. We'll then discuss Bohr's and Heisenberg's take on the quantum-classical problem and reflect on different meanings of the terms "classicality" and "classical concepts" in the writings of Bohr and his followers. This analysis will allow us to put forward some tentative suggestions for how we may better understand the relation between decoherence-induced classical...

  17. (Vapour + liquid) equilibrium of binary mixtures (1,3-dioxolane or 1,4-dioxane + 2-methyl-1-propanol or 2-methyl-2-propanol) at isobaric conditions[(Vapour+liquid) equilibrium; Cyclic ethers; Butanols; ASOG; UNIFAC

    Energy Technology Data Exchange (ETDEWEB)

    Reyes, Antonio; Lafuente, Carlos; Minones, Jose; Kragl, Udo; Royo, Felix M. E-mail: femer@posta.unizar.es

    2004-02-01

    Isobaric (vapour + liquid) equilibrium of (1,3-dioxolane or 1,4-dioxane + 2-methyl-1-propanol or 2-methyl-2-propanol) at 40.0 kPa and 101.3 kPa has been studied with a dynamic recirculating still. The experimental VLE data are thermodynamically consistent. From these data, activity coefficients were calculated and correlated with the Margules, van Laar, Wilson, NRTL and UNIQUAC equations. The VLE results have been compared with the predictions by the UNIFAC and ASOG methods.

  18. Dielectric properties of binary solutions a data handbook

    CERN Document Server

    Akhadov, Y Y

    1980-01-01

    Dielectric Properties of Binary Solutions focuses on the investigation of the dielectric properties of solutions, as well as the molecular interactions and mechanisms of molecular processes that occur in liquids. The book first discusses the fundamental formulas describing the dielectric properties of liquids and dielectric data for binary systems of non-aqueous solutions. Topics include permittivity and dielectric dispersion parameters of non-aqueous solutions of organic and inorganic compounds. The text also tackles dielectric data for binary systems of aqueous solutions, including permittiv

  19. Binary mask programmable hologram.

    Science.gov (United States)

    Tsang, P W M; Poon, T-C; Zhou, Changhe; Cheung, K W K

    2012-11-19

    We report, for the first time, the concept and generation of a novel Fresnel hologram called the digital binary mask programmable hologram (BMPH). A BMPH is comprised of a static, high resolution binary grating that is overlaid with a lower resolution binary mask. The reconstructed image of the BMPH can be programmed to approximate a target image (including both intensity and depth information) by configuring the pattern of the binary mask with a simple genetic algorithm (SGA). As the low resolution binary mask can be realized with less stringent display technology, our method enables the development of simple and economical holographic video display.

  20. Physicochemical Properties of Glycine-Based Ionic Liquid [QuatGly-OEt][EtOSO3] (2-Ethoxy-1-ethyl-1,1-dimethyl-2-oxoethanaminium ethyl sulfate and Its Binary Mixtures with Poly(ethylene glycol (Mw = 200 at Various Temperatures

    Directory of Open Access Journals (Sweden)

    Chung-Wen Kuo

    2011-12-01

    Full Text Available This work includes specific basic characterization of synthesized glycine-based Ionic Liquid (IL [QuatGly-OEt][EtOSO3] by NMR, elementary analysis and water content. Thermophysical properties such as density, ρ, viscosity, η, refractive index, n, and conductivity, κ, for the binary mixture of [QuatGly-OEt][EtOSO3] with poly(ethylene glycol (PEG [Mw = 200] are measured over the whole composition range. The temperature dependence of density and dynamic viscosity for neat [QuatGly-OEt][EtOSO3] and its binary mixture can be described by an empirical polynomial equation and by the Vogel-Tammann-Fucher (VTF equation, respectively. The thermal expansion coefficient of the ILs is ascertained using the experimental density results, and the excess volume expansivity is evaluated. The negative values of excess molar volume for the mixture indicate the ion-dipole interactions and packing between IL and PEG oligomer. The results of binary excess property (VmE and deviations (Δη, ∆xn, ∆Фn, ∆xR, and ∆ФR are discussed in terms of molecular interactions and molecular structures in the binary mixture.

  1. Classical thermodynamics of non-electrolyte solutions

    CERN Document Server

    Van Ness, H C

    1964-01-01

    Classical Thermodynamics of Non-Electrolyte Solutions covers the historical development of classical thermodynamics that concerns the properties of vapor and liquid solutions of non-electrolytes. Classical thermodynamics is a network of equations, developed through the formal logic of mathematics from a very few fundamental postulates and leading to a great variety of useful deductions. This book is composed of seven chapters and begins with discussions on the fundamentals of thermodynamics and the thermodynamic properties of fluids. The succeeding chapter presents the equations of state for

  2. Classical mechanics without determinism

    OpenAIRE

    Nikolic, H.

    2005-01-01

    Classical statistical particle mechanics in the configuration space can be represented by a nonlinear Schrodinger equation. Even without assuming the existence of deterministic particle trajectories, the resulting quantum-like statistical interpretation is sufficient to predict all measurable results of classical mechanics. In the classical case, the wave function that satisfies a linear equation is positive, which is the main source of the fundamental difference between classical and quantum...

  3. Quantum computing classical physics.

    Science.gov (United States)

    Meyer, David A

    2002-03-15

    In the past decade, quantum algorithms have been found which outperform the best classical solutions known for certain classical problems as well as the best classical methods known for simulation of certain quantum systems. This suggests that they may also speed up the simulation of some classical systems. I describe one class of discrete quantum algorithms which do so--quantum lattice-gas automata--and show how to implement them efficiently on standard quantum computers.

  4. Dielectric properties of grain–grainboundary binary system

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Peng-Fei, E-mail: pfcheng@xpu.edu.cn [School of Science, Xi’an Polytechnic University, Xi’an 710048 (China); Li, Sheng-Tao; Wang, Hui [State Key Laboratory of Electrical Insulation and Power Equipment, Xi’an Jiaotong University, Xi’an 710049 (China)

    2014-09-15

    Dielectric properties of grain–grainboundary binary system are analyzed theoretically and compared with unary system and classical Maxwell–Wagner (MW) polarization in binary system. It is found that MW polarization appears at higher frequency compared with intrinsic polarization for grain–grainboundary binary system, which is abnormal compared with classical dielectric theory. This dielectric anomaly is premised on the existence of electronic relaxation at grainboundary. The origin of giant dielectric constant of CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) ceramics is also investigated on the basis of the theoretical results. It is proposed that low frequency relaxation originates from electronic relaxation of oxygen vacancy at depletion layer, while high frequency relaxation comes from MW polarization. The results of this paper offer a quantitative identification of MW polarization from intrinsic polarization at grainboundary and a judgment of the mechanism and location of a certain polarization in grain–grainboundary binary system.

  5. Entanglement in Classical Optics

    CERN Document Server

    Ghose, Partha

    2013-01-01

    The emerging field of entanglement or nonseparability in classical optics is reviewed, and its similarities with and differences from quantum entanglement clearly pointed out through a recapitulation of Hilbert spaces in general, the special restrictions on Hilbert spaces imposed in quantum mechanics and the role of Hilbert spaces in classical polarization optics. The production of Bell-like states in classical polarization optics is discussed, and new theorems are proved to discriminate between separable and nonseparable states in classical wave optics where no discreteness is involved. The influence of the Pancharatnam phase on a classical Bell-like state is deived. Finally, to what extent classical polarization optics can be used to simulate quantum information processing tasks is also discussed. This should be of great practical importance because coherence and entanglement are robust in classical optics but not in quantum systems.

  6. Interacting binary stars

    CERN Document Server

    Sahade, Jorge; Ter Haar, D

    1978-01-01

    Interacting Binary Stars deals with the development, ideas, and problems in the study of interacting binary stars. The book consolidates the information that is scattered over many publications and papers and gives an account of important discoveries with relevant historical background. Chapters are devoted to the presentation and discussion of the different facets of the field, such as historical account of the development in the field of study of binary stars; the Roche equipotential surfaces; methods and techniques in space astronomy; and enumeration of binary star systems that are studied

  7. Positive-operator-valued measure optimization of classical correlations

    NARCIS (Netherlands)

    Hamieh, S; Kobes, R; Zaraket, H

    2004-01-01

    We study the problem of optimization over positive-operator-valued measures to extract classical correlation in a bipartite quantum system. The proposed method is applied to binary states only. Moreover, to illustrate this method, an explicit example is studied in detail.

  8. Binary Cepheids from optical interferometry

    CERN Document Server

    Gallenne, A; Mérand, A; Monnier, J D; Pietrzyński, J Breitfelder G; Gieren, W

    2013-01-01

    Classical Cepheid stars have been considered since more than a century as reliable tools to estimate distances in the universe thanks to their Period-Luminosity (P-L) relationship. Moreover, they are also powerful astrophysical laboratories, providing fundamental clues for studying the pulsation and evolution of intermediate-mass stars. When in binary systems, we can investigate the age and evolution of the Cepheid, estimate the mass and distance, and constrain theoretical models. However, most of the companions are located too close to the Cepheid (1-40 mas) to be spatially resolved with a 10-meter class telescope. The only way to spatially resolve such systems is to use long-baseline interferometry. Recently, we have started a unique and long-term interferometric program that aims at detecting and characterizing physical parameters of the Cepheid companions, with as main objectives the determination of accurate masses and geometric distances.

  9. Classical, Semi-classical and Quantum Noise

    CERN Document Server

    Poor, H; Scully, Marlan

    2012-01-01

    David Middleton was a towering figure of 20th Century engineering and science and one of the founders of statistical communication theory. During the second World War, the young David Middleton, working with Van Fleck, devised the notion of the matched filter, which is the most basic method used for detecting signals in noise. Over the intervening six decades, the contributions of Middleton have become classics. This collection of essays by leading scientists, engineers and colleagues of David are in his honor and reflect the wide  influence that he has had on many fields. Also included is the introduction by Middleton to his forthcoming book, which gives a wonderful view of the field of communication, its history and his own views on the field that he developed over the past 60 years. Focusing on classical noise modeling and applications, Classical, Semi-Classical and Quantum Noise includes coverage of statistical communication theory, non-stationary noise, molecular footprints, noise suppression, Quantum e...

  10. Binary colloidal crystals

    NARCIS (Netherlands)

    Christova-Zdravkova, C.G.

    2005-01-01

    Binary crystals are crystals composed of two types of particles having different properties like size, mass density, charge etc. In this thesis several new approaches to make binary crystals of colloidal particles that differ in size, material and charge are reported We found a variety of crystal st

  11. 含离子液体溴化1-丙基-3-甲基咪唑的二元和三元体系的蒸气压测定%Determination of Vapor Pressures for Binary and Ternary Mixtures Containing Ionic Liquid 1-propyl-3-methylimidazolium Bromide

    Institute of Scientific and Technical Information of China (English)

    Zakariya R.Abusen; 赵瑾; 李春喜; 王子镐

    2005-01-01

    Vapor pressure values of binary systems water + ethanol, water + ionic liquid 1-propyl-3-methylimidazolium bromide ([PMIM] [Br]), ethanol + [PMIM][Br] and ternary system water + ethanol + [PMIM] [Br]at different temperatures were measured by using a modified boiling point method in various concentrations of (16.66%, 33.7%), (17.4%, 33.9%) and (16.5%, 32%) mass percent of ionic liquid, respectively. The experimental vapor pressures of solvent were well correlated by the Antoine-type equation, and the overall average absolute deviation (AAD) was found to be 0.39%. The experimental results for mixtures containing ionic liquid indicate that the vapor pressure of the solvents can be decreased noticeably to different extent due to the affinity difference between ionic liquid and solvent, which is similar to the salt effect of common inorganic salts. As a result, ionic liquid may find industrial applications in extractive distillations for the system with a low separation factor or even for an azeotropic mixture.

  12. Intuitionistic Choice and Restricted Classical Logic

    DEFF Research Database (Denmark)

    Kohlenbach, Ulrich

    2001-01-01

    theoretic strength of such systems can be determined by functional interpretation based on a non-constructive -operator and his well-known results on the strength of this operator from the 70's. In this note we consider a weaker form LNOS (lesser numerical omniscience schema) of NOS which suffices to derive...... the strong form of binary König's lemma studied by Coquand/Palmgren and gives rise to a new and mathematically strong semi-classical system which, nevertheless, can proof theoretically be reduced to primitive recursive arithmetic PRA. The proof of this fact relies on functional interpretation...

  13. Lectures on Classical Integrability

    CERN Document Server

    Torrielli, Alessandro

    2016-01-01

    We review some essential aspects of classically integrable systems. The detailed outline of the lectures consists of: 1. Introduction and motivation, with historical remarks; 2. Liouville theorem and action-angle variables, with examples (harmonic oscillator, Kepler problem); 3. Algebraic tools: Lax pairs, monodromy and transfer matrices, classical r-matrices and exchange relations, non-ultralocal Poisson brackets, with examples (non-linear Schroedinger model, principal chiral field); 4. Features of classical r-matrices: Belavin-Drinfeld theorems, analyticity properties, and lift of the classical structures to quantum groups; 5. Classical inverse scattering method to solve integrable differential equations: soliton solutions, spectral properties and the Gel'fand-Levitan-Marchenko equation, with examples (KdV equation, Sine-Gordon model). Prepared for the Durham Young Researchers Integrability School, organised by the GATIS network. This is part of a collection of lecture notes.

  14. Binary Schemes of Vapor Bubble Growth

    Science.gov (United States)

    Zudin, Yu. B.

    2015-05-01

    A problem on spherically symmetric growth of a vapor bubble in an infi nite volume of a uniformly superheated liquid is considered. A description of the limiting schemes of bubble growth is presented. A binary inertial-thermal bubble growth scheme characterized by such specifi c features as the "three quarters" growth law and the effect of "pressure blocking" in a vapor phase is considered.

  15. Interferometry using binary holograms without high order diffraction effects.

    Science.gov (United States)

    Boruah, Bosanta R; Love, Gordon D; Neil, Mark A A

    2011-06-15

    We describe a technique for a phase-stepping interferometer based on programmable binary phase holograms, particularly useful for optical testing of aspheric or free-form surfaces. It is well-known that binary holograms can be used to generate reference surfaces for interferometry, but a major problem is that cross talk from higher diffraction orders and aliasing can reduce the fidelity of the system. Here, we propose a new encoding technique which improves the accuracy of the technique and demonstrate its implementation using a binary liquid crystal spatial light modulator.

  16. Enhancing Binary Images of Non-Binary LDPC Codes

    CERN Document Server

    Bhatia, Aman; Siegel, Paul H

    2011-01-01

    We investigate the reasons behind the superior performance of belief propagation decoding of non-binary LDPC codes over their binary images when the transmission occurs over the binary erasure channel. We show that although decoding over the binary image has lower complexity, it has worse performance owing to its larger number of stopping sets relative to the original non-binary code. We propose a method to find redundant parity-checks of the binary image that eliminate these additional stopping sets, so that we achieve performance comparable to that of the original non-binary LDPC code with lower decoding complexity.

  17. Application of Ann for Prediction of Co2+, Cd2+ and Zn2+ Ions Uptake by R. Squarrosus Biomass in Single and Binary Mixtures

    Directory of Open Access Journals (Sweden)

    Nemeček Peter

    2014-06-01

    Full Text Available Discharge of heavy metals into aquatic ecosystems has become a matter of concern over the last few decades. The search for new technologies involving the removal of toxic metals from wastewaters has directed the attention to biosorption, based on metal binding capacities of various biological materials. Degree of sorbent affinity for the sorbate determines its distribution between the solid and liquid phases and this behavior can be described by adsorption isotherm models (Freundlich and Langmuir isotherm models representing the classical approach. In this study, an artificial neural network (ANN was proposed to predict the sorption efficiency in single and binary component solutions of Cd2+, Zn2+ and Co2+ ions by biosorbent prepared from biomass of moss Rhytidiadelphus squarrosus. Calculated non-linear ANN models presented in this paper are advantageous for its capability of successful prediction, which can be problematic in the case of classical isotherm approach. Quality of prediction was proved by strong agreement between calculated and measured data, expressed by the coefficient of determination in both, single and binary metal systems (R2= 0.996 and R2= 0.987, respectively. Another important benefit of these models is necessity of significantly smaller amount of data (about 50% for the model calculation. Also, it is possible to calculate Qeq for all studied metals by one combined ANN model, which totally overcomes a classical isotherm approach

  18. Davidson and classical pragmatism

    Directory of Open Access Journals (Sweden)

    Paula Rossi

    2007-06-01

    Full Text Available In this paper I wish to trace some connections between Donald Davidson's work (1917-2003 and two major representatives of the classical pragmatist movement: Charles S. Peirce (1839-1914 and William James (1842-1910. I will start with a basic characterization of classical pragmatism; then, I shall examine certain conceptions in Peirce's and James' pragmatism, in order to establish affinities with Davidson´s thought. Finally, and bearing in mind the previous con-nections, I will reflect briefly on the relevance –often unrecognized- of classical pragmatist ideas in the context of contemporary philosophi-cal discussions.

  19. Fermions from classical statistics

    OpenAIRE

    2010-01-01

    We describe fermions in terms of a classical statistical ensemble. The states $\\tau$ of this ensemble are characterized by a sequence of values one or zero or a corresponding set of two-level observables. Every classical probability distribution can be associated to a quantum state for fermions. If the time evolution of the classical probabilities $p_\\tau$ amounts to a rotation of the wave function $q_\\tau(t)=\\pm \\sqrt{p_\\tau(t)}$, we infer the unitary time evolution of a quantum system of fe...

  20. Modeling of vapor-liquid-liquid equilibria in binary mixtures

    NARCIS (Netherlands)

    Tzabar, Nir; ter Brake, Hermanus J.M.

    2016-01-01

    Vapor compression and Joule–Thomson (JT) cycles provide cooling power at the boiling temperatures of the refrigerants. Maintaining a fixed pressure in the evaporator allows for a stable cooling temperature at the boiling point of a pure refrigerant. In these coolers enhanced cooling power can be ach

  1. Chemically homogeneous evolution in massive binaries

    CERN Document Server

    de Mink, S E; Langer, N; Pols, O R

    2010-01-01

    Rotation can have severe consequences for the evolution of massive stars. It is now considered as one of the main parameters, alongside mass and metallicity that determine the final fate of single stars. In massive, fast rotating stars mixing processes induced by rotation may be so efficient that helium produced in the center is mixed throughout the envelope. Such stars evolve almost chemically homogeneously. At low metallicity they remain blue and compact, while they gradually evolve into Wolf-Rayet stars and possibly into progenitors of long gamma-ray bursts. In binaries this type of evolution may occur because of (I) tides in very close binaries, as a result of (II) spin up by mass transfer, as result of (III) a merger of the two stars and (IV) when one of the components in the binary was born with a very high initial rotation rate. As these stars stay compact, the evolutionary channels are very different from what classical binary evolutionary models predict. In this contribution we discuss examples of ne...

  2. Kuiper Binary Object Formation

    CERN Document Server

    Nazzario, R C; Covington, C; Kagan, D; Hyde, T W

    2005-01-01

    It has been observed that binary Kuiper Belt Objects (KBOs) exist contrary to theoretical expectations. Their creation presents problems to most current models. However, the inclusion of a third body (for example, one of the outer planets) may provide the conditions necessary for the formation of these objects. The presence of a third massive body not only helps to clear the primordial Kuiper Belt but can also result in long lived binary Kuiper belt objects. The gravitational interaction between the KBOs and the third body causes one of four effects; scattering into the Oort cloud, collisions with the growing protoplanets, formation of binary pairs, or creation of a single Kuiper belt object. Additionally, the initial location of the progenitors of the Kuiper belt objects also has a significant effect on binary formation.

  3. Advanced classical field theory

    CERN Document Server

    Giachetta, Giovanni; Sardanashvily, Gennadi

    2009-01-01

    Contemporary quantum field theory is mainly developed as quantization of classical fields. Therefore, classical field theory and its BRST extension is the necessary step towards quantum field theory. This book aims to provide a complete mathematical foundation of Lagrangian classical field theory and its BRST extension for the purpose of quantization. Based on the standard geometric formulation of theory of nonlinear differential operators, Lagrangian field theory is treated in a very general setting. Reducible degenerate Lagrangian theories of even and odd fields on an arbitrary smooth manifold are considered. The second Noether theorems generalized to these theories and formulated in the homology terms provide the strict mathematical formulation of BRST extended classical field theory

  4. Kuiper Binary Object Formation

    OpenAIRE

    Nazzario, R. C.; Orr, K.; Covington, C.; Kagan, D.; Hyde, T. W.

    2005-01-01

    It has been observed that binary Kuiper Belt Objects (KBOs) exist contrary to theoretical expectations. Their creation presents problems to most current models. However, the inclusion of a third body (for example, one of the outer planets) may provide the conditions necessary for the formation of these objects. The presence of a third massive body not only helps to clear the primordial Kuiper Belt but can also result in long lived binary Kuiper belt objects. The gravitational interaction betw...

  5. Binary Masking & Speech Intelligibility

    DEFF Research Database (Denmark)

    Boldt, Jesper

    The purpose of this thesis is to examine how binary masking can be used to increase intelligibility in situations where hearing impaired listeners have difficulties understanding what is being said. The major part of the experiments carried out in this thesis can be categorized as either experime...... mask using a directional system and a method for correcting errors in the target binary mask. The last part of the thesis, proposes a new method for objective evaluation of speech intelligibility....

  6. Between classical and quantum

    OpenAIRE

    2007-01-01

    The relationship between classical and quantum theory is of central importance to the philosophy of physics, and any interpretation of quantum mechanics has to clarify it. Our discussion of this relationship is partly historical and conceptual, but mostly technical and mathematically rigorous, including over 500 references. On the assumption that quantum mechanics is universal and complete, we discuss three ways in which classical physics has so far been believed to emerge from quantum physic...

  7. On Noncommutative Classical Mechanics

    CERN Document Server

    Djemai, A E F

    2003-01-01

    In this work, I investigate the noncommutative Poisson algebra of classical observables corresponding to a proposed general Noncommutative Quantum Mechanics, \\cite{1}. I treat some classical systems with various potentials and some Physical interpretations are given concerning the presence of noncommutativity at large scales (Celeste Mechanics) directly tied to the one present at small scales (Quantum Mechanics) and its possible relation with UV/IR mixing.

  8. Learning for Classical Planning

    OpenAIRE

    Chrpa, Lukáš

    2009-01-01

    This thesis is mainly about classical planning for articial intelligence (AI). In planning, we deal with searching for a sequence of actions that changes the environment from a given initial state to a goal state. Planning problems in general are ones of the hardest problems not only in the area of AI, but in the whole computer science. Even though classical planning problems do not consider many aspects from the real world, their complexity reaches EXPSPACE-completeness. Nevertheless, there ...

  9. Quantum and Classic Brackets

    OpenAIRE

    Kisil, Vladimir V.

    2000-01-01

    We describe an $p$-mechanical (see funct-an/9405002 and quant-ph/9610016) brackets which generate quantum (commutator) and classic (Poisson) brackets in corresponding representations of the Heisenberg group. We \\emph{do not} use any kind of semiclassic approximation or limiting procedures for $\\hbar \\to 0$. Harmonic oscillator considered within the approach. Keywords: Classic and quantum mechanics, Hamilton and Heisenberg equations, Poisson brackets, commutator, Heisenberg group.

  10. Eclipsing Binary Pulsars

    CERN Document Server

    Freire, P C C

    2004-01-01

    The first eclipsing binary pulsar, PSR B1957+20, was discovered in 1987. Since then, 13 other eclipsing low-mass binary pulsars have been found, 12 of these are in globular clusters. In this paper we list the known eclipsing binary pulsars and their properties, with special attention to the eclipsing systems in 47 Tuc. We find that there are two fundamentally different groups of eclipsing binary pulsars; separated by their companion masses. The less massive systems (M_c ~ 0.02 M_sun) are a product of predictable stellar evolution in binary pulsars. The systems with more massive companions (M_c ~ 0.2 M_sun) were formed by exchange encounters in globular clusters, and for that reason are exclusive to those environments. This class of systems can be used to learn about the neutron star recycling fraction in the globular clusters actively forming pulsars. We suggest that most of these binary systems are undetectable at radio wavelengths.

  11. A Simple Explanation of the Classic Hydrostatic Paradox

    Science.gov (United States)

    Kontomaris, Stylianos-Vasileios; Malamou, Anna

    2016-01-01

    An interesting problem in fluid mechanics, with significant educational importance, is the classic hydrostatic paradox. The hydrostatic paradox states the fact that in different shaped containers, with the same base area, which are filled with a liquid of the same height, the applied force by the liquid on the base of each container is exactly the…

  12. A Simple Explanation of the Classic Hydrostatic Paradox

    Science.gov (United States)

    Kontomaris, Stylianos-Vasileios; Malamou, Anna

    2016-01-01

    An interesting problem in fluid mechanics, with significant educational importance, is the classic hydrostatic paradox. The hydrostatic paradox states the fact that in different shaped containers, with the same base area, which are filled with a liquid of the same height, the applied force by the liquid on the base of each container is exactly the…

  13. Discovery of the spectroscopic binary nature of six southern Cepheids

    CERN Document Server

    Szabados, L; Kiss, L L; Kovács, J; Anderson, R I; Kiss, Cs; Szalai, T; Székely, P; Christiansen, J L; 10.1093/mnras/stt027

    2013-01-01

    We present the analysis of photometric and spectroscopic data of six bright Galactic Cepheids: GH Carinae, V419 Centauri, V898 Centauri, AD Puppis, AY Sagittarii, and ST Velorum. Based on new radial velocity data (in some cases supplemented with earlier data available in the literature), these Cepheids have been found to be members in spectroscopic binary systems. V898 Cen turned out to have one of the largest orbital radial velocity amplitude (> 40 km/s) among the known binary Cepheids. The data are insufficient to determine the orbital periods nor other orbital elements for these new spectroscopic binaries. These discoveries corroborate the statement on the high frequency of occurrence of binaries among the classical Cepheids, a fact to be taken into account when calibrating the period-luminosity relationship for Cepheids. We have also compiled all available photometric data that revealed that the pulsation period of AD Pup, the longest period Cepheid in this sample, is continuously increasing with Delta P ...

  14. Solidification and microstructures of binary ice-I/hydrate eutectic aggregates

    Science.gov (United States)

    McCarthy, C.; Cooper, R.F.; Kirby, S.H.; Rieck, K.D.; Stern, L.A.

    2007-01-01

    The microstructures of two-phase binary aggregates of ice-I + salt-hydrate, prepared by eutectic solidification, have been characterized by cryogenic scanning electron microscopy (CSEM). The specific binary systems studied were H2O-Na2SO4, H2O-MgSO4, H2O-NaCl, and H2O-H2SO4; these were selected based on their potential application to the study of tectonics on the Jovian moon Europa. Homogeneous liquid solutions of eutectic compositions were undercooled modestly (??T - 1-5 ??C); similarly cooled crystalline seeds of the same composition were added to circumvent the thermodynamic barrier to nucleation and to control eutectic growth under (approximately) isothermal conditions. CSEM revealed classic eutectic solidification microstructures with the hydrate phase forming continuous lamellae, discontinuous lamellae, or forming the matrix around rods of ice-I, depending on the volume fractions of the phases and their entropy of dissolving and forming a homogeneous aqueous solution. We quantify aspects of the solidification behavior and microstructures for each system and, with these data articulate anticipated effects of the microstructure on the mechanical responses of the materials.

  15. Simple improvements to classical bubble nucleation models

    CERN Document Server

    Tanaka, Kyoko K; Angélil, Raymond; Diemand, Jürg

    2015-01-01

    We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a new prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by T...

  16. Binary stars: Mass transfer and chemical composition

    Science.gov (United States)

    Lambert, D. L.

    1982-01-01

    It is noted that mass exchange (and mass loss) within a binary system should produce observable changes in the surface chemical composition of both the mass losing and mass gaining stars as a stellar interior exposed to nucleosyntheses is uncovered. Three topics relating mass exchange and/or mass loss to nucleosynthesis are sketched: the chemical composition of Algol systems; the accretion disk of a cataclysmic variable fed by mass from a dwarf secondary star; and the hypothesis that classical Ba II giants result from mass transfer from a more evolved companion now present as a white dwarf.

  17. Determination of protonation constants of some tetracycline antibiotics by potentiometry and lc methods in water and acetonitrile-water binary mixtures

    National Research Council Canada - National Science Library

    Senem Şanli; Nurullah Şanli; Güleren Alsancak

    2009-01-01

    An accurate estimation of dissociation constants of tetracycline antibiotics in acetonitrile-water binary mixtures is very important for several separation techniques such as liquid chromatography and...

  18. Binary Neutron Star Mergers

    Directory of Open Access Journals (Sweden)

    Joshua A. Faber

    2012-07-01

    Full Text Available We review the current status of studies of the coalescence of binary neutron star systems. We begin with a discussion of the formation channels of merging binaries and we discuss the most recent theoretical predictions for merger rates. Next, we turn to the quasi-equilibrium formalisms that are used to study binaries prior to the merger phase and to generate initial data for fully dynamical simulations. The quasi-equilibrium approximation has played a key role in developing our understanding of the physics of binary coalescence and, in particular, of the orbital instability processes that can drive binaries to merger at the end of their lifetimes. We then turn to the numerical techniques used in dynamical simulations, including relativistic formalisms, (magneto-hydrodynamics, gravitational-wave extraction techniques, and nuclear microphysics treatments. This is followed by a summary of the simulations performed across the field to date, including the most recent results from both fully relativistic and microphysically detailed simulations. Finally, we discuss the likely directions for the field as we transition from the first to the second generation of gravitational-wave interferometers and while supercomputers reach the petascale frontier.

  19. Skewed Binary Search Trees

    DEFF Research Database (Denmark)

    Brodal, Gerth Stølting; Moruz, Gabriel

    2006-01-01

    It is well-known that to minimize the number of comparisons a binary search tree should be perfectly balanced. Previous work has shown that a dominating factor over the running time for a search is the number of cache faults performed, and that an appropriate memory layout of a binary search tree...... can reduce the number of cache faults by several hundred percent. Motivated by the fact that during a search branching to the left or right at a node does not necessarily have the same cost, e.g. because of branch prediction schemes, we in this paper study the class of skewed binary search trees....... For all nodes in a skewed binary search tree the ratio between the size of the left subtree and the size of the tree is a fixed constant (a ratio of 1/2 gives perfect balanced trees). In this paper we present an experimental study of various memory layouts of static skewed binary search trees, where each...

  20. Between classical and quantum

    CERN Document Server

    Landsman, N P

    2005-01-01

    The relationship between classical and quantum theory is of central importance to the philosophy of physics, and any interpretation of quantum mechanics has to clarify it. Our discussion of this relationship is partly historical and conceptual, but mostly technical and mathematically rigorous, including over 500 references. On the assumption that quantum mechanics is universal and complete, we discuss three ways in which classical physics has so far been believed to emerge from quantum physics, namely in the limit h -> 0 of small Planck's constant (in a finite system), in the limit of a large system, and through decoherence and consistent histores. The first limit is closely related to modern quantization theory and microlocal analysis, whereas the second involves methods of C*-algebras and the concepts of superselection sectors and macroscopic observables. In these limits, the classical world does not emerge as a sharply defined objective reality, but rather as an approximate appearance relative to certain "...

  1. Discrete Classical Electromagnetic Fields

    CERN Document Server

    De Souza, M M

    1997-01-01

    The classical electromagnetic field of a spinless point electron is described in a formalism with extended causality by discrete finite transverse point-vector fields with discrete and localized point interactions. These fields are taken as a classical representation of photons, ``classical photons". They are all transversal photons; there are no scalar nor longitudinal photons as these are definitely eliminated by the gauge condition. The angular distribution of emitted photons coincides with the directions of maximum emission in the standard formalism. The Maxwell formalism and its standard field are retrieved by the replacement of these discrete fields by their space-time averages, and in this process scalar and longitudinal photons are necessarily created and added. Divergences and singularities are by-products of this averaging process. This formalism enlighten the meaning and the origin of the non-physical photons, the ones that violate the Lorentz condition in manifestly covariant quantization methods.

  2. Randomness: Quantum versus classical

    Science.gov (United States)

    Khrennikov, Andrei

    2016-05-01

    Recent tremendous development of quantum information theory has led to a number of quantum technological projects, e.g. quantum random generators. This development had stimulated a new wave of interest in quantum foundations. One of the most intriguing problems of quantum foundations is the elaboration of a consistent and commonly accepted interpretation of a quantum state. Closely related problem is the clarification of the notion of quantum randomness and its interrelation with classical randomness. In this short review, we shall discuss basics of classical theory of randomness (which by itself is very complex and characterized by diversity of approaches) and compare it with irreducible quantum randomness. We also discuss briefly “digital philosophy”, its role in physics (classical and quantum) and its coupling to the information interpretation of quantum mechanics (QM).

  3. Covariantizing Classical Field Theories

    CERN Document Server

    López, Marco Castrillón

    2010-01-01

    We show how to enlarge the covariance group of any classical field theory in such a way that the resulting "covariantized" theory is 'essentially equivalent' to the original. In particular, our technique will render any classical field theory generally covariant, that is, the covariantized theory will be spacetime diffeomorphism-covariant and free of absolute objects. Our results thus generalize the well-known parametrization technique of Dirac and Kucha\\v{r}. Our constructions apply equally well to internal covariance groups, in which context they produce natural derivations of both the Utiyama minimal coupling and St\\"uckelberg tricks.

  4. Problems in classical mechanics

    CERN Document Server

    Katkar, L N

    2014-01-01

    Problems in classical mechanics presents a lucid treatment of the formulations of Lagrangian, Hamiltonian, and the Principles of Calculus of Variations etc. important for the study of modern physics. The study of classical mechanics prepares students to apply the principles and the mathematical tools to solve real life problems. The book also incorporates and discusses in detail topics such as Central Force Motion, Rigid Body Motion and Canonical Transformations. KEY FEATURES: Around 200 solved examples with complete mathematical theory Around 70 examples given as an exercise to test and develop students understanding The physical interpretation of the Hamiltonian is highlighted

  5. Classical mechanics with Maxima

    CERN Document Server

    Timberlake, Todd Keene

    2016-01-01

    This book guides undergraduate students in the use of Maxima—a computer algebra system—in solving problems in classical mechanics. It functions well as a supplement to a typical classical mechanics textbook. When it comes to problems that are too difficult to solve by hand, computer algebra systems that can perform symbolic mathematical manipulations are a valuable tool. Maxima is particularly attractive in that it is open-source, multiple-platform software that students can download and install free of charge. Lessons learned and capabilities developed using Maxima are easily transferred to other, proprietary software.

  6. Classical Holographic Codes

    CERN Document Server

    Brehm, Enrico M

    2016-01-01

    In this work, we introduce classical holographic codes. These can be understood as concatenated probabilistic codes and can be represented as networks uniformly covering hyperbolic space. In particular, classical holographic codes can be interpreted as maps from bulk degrees of freedom to boundary degrees of freedom. Interestingly, they are shown to exhibit features similar to those expected from the AdS/CFT correspondence. Among these are a version of the Ryu-Takayanagi formula and intriguing properties regarding bulk reconstruction and boundary representations of bulk operations. We discuss the relation of our findings with expectations from AdS/CFT and, in particular, with recent results from quantum error correction.

  7. Classic Problems of Probability

    CERN Document Server

    Gorroochurn, Prakash

    2012-01-01

    "A great book, one that I will certainly add to my personal library."—Paul J. Nahin, Professor Emeritus of Electrical Engineering, University of New Hampshire Classic Problems of Probability presents a lively account of the most intriguing aspects of statistics. The book features a large collection of more than thirty classic probability problems which have been carefully selected for their interesting history, the way they have shaped the field, and their counterintuitive nature. From Cardano's 1564 Games of Chance to Jacob Bernoulli's 1713 Golden Theorem to Parrondo's 1996 Perplexin

  8. Learning Classical Music Club

    CERN Multimedia

    Learning Classical Music Club

    2010-01-01

    There is a new CERN Club called “Learning Classical Music at CERN”. We are aiming to give classical music lessons for different instruments (see link) for students from 5 to 100 years old. We are now ready to start our activities in the CERN barracks. We are now in the enrollment phase and hope to start lessons very soon ! Club info can be found in the list of CERN Club: http://user.web.cern.ch/user/Communication/SocialLifeActivities/Clubs/Clubs.html Salvatore Buontempo Club President

  9. Binary Popldation Synthcsis Study

    Institute of Scientific and Technical Information of China (English)

    HAN Zhanwen

    2011-01-01

    Binary population synthesis (BPS), an approach to evolving millions of stars (including binaries) simultaneously, plays a crucial role in our understanding of stellar physics, the structure and evolution of galaxies, and cosmology. We proposed and developed a BPS approach, and used it to investigate the formation of many peculiar stars such as hot subdwarf stars, progenitors of type la supernovae, barium stars, CH stars, planetary nebulae, double white dwarfs, blue stragglers, contact binaries, etc. We also established an evolution population synthesis (EPS) model, the Yunnan Model, which takes into account binary interactions for the first time. We applied our model for the origin of hot subdwarf stars in the study of elliptical galaxies and explained their far-UV radiation.

  10. Binary and Millisecond Pulsars

    Directory of Open Access Journals (Sweden)

    Lorimer Duncan R.

    2008-11-01

    Full Text Available We review the main properties, demographics and applications of binary and millisecond radio pulsars. Our knowledge of these exciting objects has greatly increased in recent years, mainly due to successful surveys which have brought the known pulsar population to over 1800. There are now 83 binary and millisecond pulsars associated with the disk of our Galaxy, and a further 140 pulsars in 26 of the Galactic globular clusters. Recent highlights include the discovery of the young relativistic binary system PSR J1906+0746, a rejuvination in globular cluster pulsar research including growing numbers of pulsars with masses in excess of 1.5M_⊙, a precise measurement of relativistic spin precession in the double pulsar system and a Galactic millisecond pulsar in an eccentric (e = 0.44 orbit around an unevolved companion.

  11. Mecanica Clasica (Classical Mechanics)

    CERN Document Server

    Rosu, H C

    1999-01-01

    First Internet undergraduate course on Classical Mechanics in Spanish (Castellano). This is about 80% of the material I covered during the January-June 1999 semester at IFUG in the Mexican city of Leon. English and Romanian versions are in (slow) progress and hopefully will be arXived. For a similar course on Quantum Mechanics, see physics/9808031

  12. Classicism and Romanticism.

    Science.gov (United States)

    Huddleston, Gregory H.

    1993-01-01

    Describes one teacher's methods for introducing to secondary English students the concepts of Classicism and Romanticism in relation to pictures of gardens, architecture, music, and literary works. Outlines how the unit leads to a writing assignment based on collected responses over time. (HB)

  13. Mecanica Clasica (Classical Mechanics)

    OpenAIRE

    Rosu, H. C.

    1999-01-01

    First Internet graduate course on Classical Mechanics in Spanish (Castellano). This is about 80% of the material I covered during the January-June 1999 semester at IFUG in the Mexican city of Leon. English and Romanian versions are in (slow) progress and hopefully will be arXived. For a similar course on Quantum Mechanics, see physics/9808031

  14. Strong Coupling and Classicalization

    CERN Document Server

    Dvali, Gia

    2016-01-01

    Classicalization is a phenomenon in which a theory prevents itself from entering into a strong-coupling regime, by redistributing the energy among many weakly-interacting soft quanta. In this way, the scattering process of some initial hard quanta splits into a large number of soft elementary processes. In short, the theory trades the strong coupling for a high-multiplicity of quanta. At very high energies, the outcome of such a scattering experiment is a production of soft states of high occupation number that are approximately classical. It is evident that black hole creation in particle collision at super-Planckian energies is a result of classicalization, but there is no a priory reason why this phenomenon must be limited to gravity. If the hierarchy problem is solved by classicalization, the LHC has a chance of detecting a tower of new resonances. The lowest-lying resonances must appear right at the strong coupling scale in form of short-lived elementary particles. The heavier members of the tower must b...

  15. Classicism and Romanticism.

    Science.gov (United States)

    Huddleston, Gregory H.

    1993-01-01

    Describes one teacher's methods for introducing to secondary English students the concepts of Classicism and Romanticism in relation to pictures of gardens, architecture, music, and literary works. Outlines how the unit leads to a writing assignment based on collected responses over time. (HB)

  16. Classical Mythology. Fourth Edition.

    Science.gov (United States)

    Morford, Mark P. O.; Lenardon, Robert J.

    Designed for students with little or no background in classical literature, this book introduces the Greek and Roman myths of creation, myths of the gods, Greek sagas and local legends, and presents contemporary theories about the myths. Drawing on Homer, Hesiod, Pindar, Vergil, and others, the book provides many translations and paraphrases of…

  17. Classical galactosaemia revisited

    NARCIS (Netherlands)

    A.M. Bosch

    2006-01-01

    Classical galactosaemia (McKusick 230400) is an: autosomal recessive disorder of galactose metabolism, caused by a deficiency of the enzyme galactose-1-phosphate uridyltransferase (GALT; EC 2.7.712). Most patients present in the neonatal period, after ingestion of galactose, with jaundice, hepatospl

  18. Nuclear motion is classical

    CERN Document Server

    Frank, Irmgard

    2016-01-01

    The notion from ab-initio molecular dynamics simulations that nuclear motion is best described by classical Newton dynamics instead of the time-dependent Schr{\\"o}dinger equation is substantiated. In principle a single experiment should bring clarity. Caution is however necessary, as temperature dependent effects must be eliminated when trying to determine the existence of a zero-point energy.

  19. Children's Classics. Fifth Edition.

    Science.gov (United States)

    Jordan, Alice M.

    "Children's Classics," a 1947 article by Alice M. Jordan reprinted from "The Horn Book Magazine," examines the dynamics and appeal of some of the most famous books for young readers, including "Alice in Wonderland,""The Wind in the Willows,""Robinson Crusoe," and "Andersen's Fairy Tales." Paul Hein's annotated bibliography, a revision of Jordan's…

  20. Children's Classics. Fifth Edition.

    Science.gov (United States)

    Jordan, Alice M.

    "Children's Classics," a 1947 article by Alice M. Jordan reprinted from "The Horn Book Magazine," examines the dynamics and appeal of some of the most famous books for young readers, including "Alice in Wonderland,""The Wind in the Willows,""Robinson Crusoe," and "Andersen's Fairy Tales." Paul Hein's annotated bibliography, a revision of Jordan's…

  1. Binary Colloidal Alloy Test-3 and 4: Critical Point

    Science.gov (United States)

    Weitz, David A.; Lu, Peter J.

    2007-01-01

    Binary Colloidal Alloy Test - 3 and 4: Critical Point (BCAT-3-4-CP) will determine phase separation rates and add needed points to the phase diagram of a model critical fluid system. Crewmembers photograph samples of polymer and colloidal particles (tiny nanoscale spheres suspended in liquid) that model liquid/gas phase changes. Results will help scientists develop fundamental physics concepts previously cloaked by the effects of gravity.

  2. Eclipsing Binary Update, No. 2.

    Science.gov (United States)

    Williams, D. B.

    1996-01-01

    Contents: 1. Wrong again! The elusive period of DHK 41. 2. Stars observed and not observed. 3. Eclipsing binary chart information. 4. Eclipsing binary news and notes. 5. A note on SS Arietis. 6. Featured star: TX Ursae Majoris.

  3. N-Bit Binary Resistor

    Science.gov (United States)

    Tcheng, Ping

    1989-01-01

    Binary resistors in series tailored to precise value of resistance. Desired value of resistance obtained by cutting appropriate traces across resistors. Multibit, binary-based, adjustable resistor with high resolution used in many applications where precise resistance required.

  4. Optical simulation of neutrino oscillations in binary waveguide arrays

    CERN Document Server

    Marini, Andrea; Biancalana, Fabio

    2014-01-01

    We theoretically propose and investigate an optical analogue of neutrino oscillations in a pair of vertically displaced binary waveguide arrays with longitudinally modulated effective refractive index. Optical propagation is modelled through coupled-mode equations, which in the continuous limit lead to two coupled Dirac equations for fermionic particles with different mass states, i.e. neutrinos. We demonstrate that neutrino oscillations can be quenched by nonlinear effects, and we predict the existence of neutrino solitons. Incidentally, these phenomena are expected to play an important role in massive supernova stars. Our results pave the way for using binary waveguide arrays as a classical laboratory for predicting exotic effects in particle physics and astrophysics.

  5. Investment and operating costs of binary cycle geothermal power plants

    Science.gov (United States)

    Holt, B.; Brugman, J.

    1974-01-01

    Typical investment and operating costs for geothermal power plants employing binary cycle technology and utilizing the heat energy in liquid-dominated reservoirs are discussed. These costs are developed as a function of reservoir temperature. The factors involved in optimizing plant design are discussed. A relationship between the value of electrical energy and the value of the heat energy in the reservoir is suggested.

  6. Orbits for sixteen binaries

    Directory of Open Access Journals (Sweden)

    Cvetković Z.

    2006-01-01

    Full Text Available In this paper orbits for 13 binaries are recalculated and presented. The reason is that recent observations show higher residuals than the corresponding ephemerides calculated by using the orbital elements given in the Sixth Catalog of Orbits of Visual Binary Stars. The binaries studied were: WDS 00182+7257 = A 803, WDS 00335+4006 = HO 3, WDS 00583+2124 = BU 302, WDS 01011+6022 = A 926, WDS 01014+1155 = BU 867, WDS 01112+4113 = A 655, WDS 01361−2954 + HJ 3447, WDS 02333+5219 = STT 42 AB,WDS 04362+0814 = A 1840 AB,WDS 08017−0836 = A 1580, WDS 08277−0425 = A 550, WDS 17471+1742 = STF 2215 and WDS 18025+4414 = BU 1127 Aa-B. In addition, for three binaries - WDS 01532+1526 = BU 260, WDS 02563+7253 = STF 312 AB and WDS 05003+3924 = STT 92 AB - the orbital elements are calculated for the first time. In this paper the authors present not only the orbital elements, but the masses dynamical parallaxes, absolute magnitudes and ephemerides for the next five years, as well.

  7. Equational binary decision diagrams

    NARCIS (Netherlands)

    Groote, J.F.; Pol, J.C. van de

    2000-01-01

    We incorporate equations in binary decision diagrams (BDD). The resulting objects are called EQ-BDDs. A straightforward notion of ordered EQ-BDDs (EQ-OBDD) is defined, and it is proved that each EQ-BDD is logically equivalent to an EQ-OBDD. Moreover, on EQ-OBDDs satisfiability and tautology checkin

  8. Equational binary decision diagrams

    NARCIS (Netherlands)

    J.F. Groote (Jan Friso); J.C. van de Pol (Jaco)

    2000-01-01

    textabstractWe incorporate equations in binary decision diagrams (BDD). The resulting objects are called EQ-BDDs. A straightforward notion of ordered EQ-BDDs (EQ-OBDD) is defined, and it is proved that each EQ-BDD is logically equivalent to an EQ-OBDD. Moreover, on EQ-OBDDs satisfiability and

  9. Compressing Binary Decision Diagrams

    DEFF Research Database (Denmark)

    Hansen, Esben Rune; Satti, Srinivasa Rao; Tiedemann, Peter

    2008-01-01

    The paper introduces a new technique for compressing Binary Decision Diagrams in those cases where random access is not required. Using this technique, compression and decompression can be done in linear time in the size of the BDD and compression will in many cases reduce the size of the BDD to 1...

  10. Compressing Binary Decision Diagrams

    DEFF Research Database (Denmark)

    Rune Hansen, Esben; Srinivasa Rao, S.; Tiedemann, Peter

    The paper introduces a new technique for compressing Binary Decision Diagrams in those cases where random access is not required. Using this technique, compression and decompression can be done in linear time in the size of the BDD and compression will in many cases reduce the size of the BDD to 1...

  11. Compressing Binary Decision Diagrams

    DEFF Research Database (Denmark)

    Hansen, Esben Rune; Satti, Srinivasa Rao; Tiedemann, Peter

    2008-01-01

    The paper introduces a new technique for compressing Binary Decision Diagrams in those cases where random access is not required. Using this technique, compression and decompression can be done in linear time in the size of the BDD and compression will in many cases reduce the size of the BDD to 1...

  12. Equational binary decision diagrams

    NARCIS (Netherlands)

    J.F. Groote (Jan Friso); J.C. van de Pol (Jaco)

    2000-01-01

    textabstractWe incorporate equations in binary decision diagrams (BDD). The resulting objects are called EQ-BDDs. A straightforward notion of ordered EQ-BDDs (EQ-OBDD) is defined, and it is proved that each EQ-BDD is logically equivalent to an EQ-OBDD. Moreover, on EQ-OBDDs satisfiability and tauto

  13. The special symplectic structure of binary cubics

    CERN Document Server

    Slupinski, Marcus

    2009-01-01

    Let $k$ be a field of characteristic not 2 or 3. Let $V$ be the $k$-space of binary cubic polynomials. The natural symplectic structure on $k^2$ promotes to a symplectic structure $\\omega$ on $V$ and from the natural symplectic action of $\\textrm{Sl}(2,k)$ one obtains the symplectic module $(V,\\omega)$. We give a complete analysis of this symplectic module from the point of view of the associated moment map, its norm square $Q$ (essentially the classical discriminant) and the symplectic gradient of $Q$. Among the results are a symplectic derivation of the Cardano-Tartaglia formulas for the roots of a cubic, detailed parameters for all $\\textrm{Sl}(2,k)$ and $\\textrm{Gl}(2,k)$-orbits, in particular identifying a group structure on the set of $\\textrm{Sl}(2,k)$-orbits of fixed nonzero discriminant, and a purely symplectic generalization of the classical Eisenstein syzygy for the covariants of a binary cubic. Such fine symplectic analysis is due to the special symplectic nature inherited from the ambient excepti...

  14. Liquid-liquid equilibria for ternary polymer mixtures

    Science.gov (United States)

    Oh, Suk Yung; Bae, Young Chan

    2011-01-01

    A molecular thermodynamic model for multicomponent systems based on a closed-packed lattice model is presented based on two contributions; entropy and energy contribution. The calculated liquid-liquid equilibria of ternary chainlike mixtures agreed with Monte Carlo simulation results. The proposed model can satisfactorily predict Types 0, 1, 2 and 3 phase separations of the Treybal classification. The model parameters obtained from the binary systems were used to directly predict real ternary systems and the calculated results correlated well with experimental data using few adjustable parameters. Specific interactions in associated binary systems were considered using a secondary lattice.

  15. Black holes in binary stars

    NARCIS (Netherlands)

    Wijers, R.A.M.J.

    1996-01-01

    Introduction Distinguishing neutron stars and black holes Optical companions and dynamical masses X-ray signatures of the nature of a compact object Structure and evolution of black-hole binaries High-mass black-hole binaries Low-mass black-hole binaries Low-mass black holes Formation of black holes

  16. Structure of the glass-forming metallic liquids by ab-initio and classical molecular dynamics, a case study: Quenching the Cu{sub 60}Ti{sub 20}Zr{sub 20} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Amokrane, S.; Ayadim, A.; Levrel, L. [Groupe “Physique des Liquides et Milieux Complexes,” Faculté des Sciences et Technologie, Université Paris-Est (Créteil), 61 av. du Général de Gaulle, 94010 Créteil Cedex (France)

    2015-11-21

    We consider the question of the amorphization of metallic alloys by melt quenching, as predicted by molecular dynamics simulations with semi-empirical potentials. The parametrization of the potentials is discussed on the example of the ternary Cu-Ti-Zr transition metals alloy, using the ab-initio simulation as a reference. The pair structure in the amorphous state is computed from a potential of the Stillinger-Weber form. The transferability of the parameters during the quench is investigated using two parametrizations: from solid state data, as usual and from a new parametrization on the liquid structure. When the adjustment is made on the pair structure of the liquid, a satisfactory transferability is found between the pure components and their alloys. The liquid structure predicted in this way agrees well with experiment, in contrast with the one obtained using the adjustment on the solid. The final structure, after quenches down to the amorphous state, determined with the new set of parameters is shown to be very close to the ab-initio one, the latter being in excellent agreement with recent X-rays diffraction experiments. The corresponding critical temperature of the glass transition is estimated from the behavior of the heat capacity. Discussion on the consistency between the structures predicted using semi-empirical potentials and ab-initio simulation, and comparison of different experimental data underlines the question of the dependence of the final structure on the thermodynamic path followed to reach the amorphous state.

  17. Vapor-liquid Equilibrium Properties of New Binary Mixture Refrigerant(R290+R227ea)%新型二元混合制冷剂(R290+R227ea)气液相平衡研究

    Institute of Scientific and Technical Information of China (English)

    陈秀萍; 祁影霞; 赵胜喜; 张华

    2014-01-01

    混合制冷剂气液相平衡数据是新型制冷剂的热力学参数的重要组成部分。理论预测和实验测定混合工质的气液相平衡数据成为研究混合工质替代问题的一项迫切需要。本文基于量子化学理论,采用真实溶剂似导体模型( COSMO-RS)模拟了二元混合制冷剂(R290+R227ea)气液相平衡性质,模拟的结果与实验结果有很好的一致性。表明运用COSMO-RS模型预测混合制冷剂的气液相平衡是可行的。%The vapor-liquid equilibrium data is an important part of thermodynamic parameters of a new refrigerant. Theoretical predic-tions and experimental measurements of vapor-liquid equilibrium data of a new mixed working fluid become an urgent need for alternative refrigerant researches. The article is based on the theory of quantum chemistry . The vapor-liquid equilibrium properties of binary refriger-ant(R290+R227ea)were modeled by COSMO-RS simulations. The simulation results could accord with the data of experiments well. It shows that COSMO-RS simulation method is feasible to predict the vapor-liquid equilibrium properties of mixture refrigerants.

  18. Citation classics in trauma.

    Science.gov (United States)

    Ollerton, Joanne Emma; Sugrue, Michael

    2005-02-01

    The evolution of trauma may be analyzed by review of articles most frequently cited by scientific articles worldwide. This study identified the "trauma classics" by reviewing the most-cited articles ever published in The Journal of Trauma. The Science Citation Index of the Institute for Scientific Information was searched for the 50 most-cited articles in The Journal of Trauma. Of the 12,672 articles published since 1961, 80 were cited over 100 times and 17 over 200 times. The most-cited article was by Baker, a hallmark publication on injury scoring published in 1974. Feeding postinjury, bacterial translocation, and multiple organ failure were common themes. Overall, 32% involved gastrointestinal topics and 18% involved injury scoring, with institutions in the United States publishing 80% of the articles. This study identified the trauma classics from the last 42 years of The Journal of Trauma. Citation analysis has recognized limitations but gives a fascinating insight into the evolution of trauma care.

  19. Classical and statistical thermodynamics

    CERN Document Server

    Rizk, Hanna A

    2016-01-01

    This is a text book of thermodynamics for the student who seeks thorough training in science or engineering. Systematic and thorough treatment of the fundamental principles rather than presenting the large mass of facts has been stressed. The book includes some of the historical and humanistic background of thermodynamics, but without affecting the continuity of the analytical treatment. For a clearer and more profound understanding of thermodynamics this book is highly recommended. In this respect, the author believes that a sound grounding in classical thermodynamics is an essential prerequisite for the understanding of statistical thermodynamics. Such a book comprising the two wide branches of thermodynamics is in fact unprecedented. Being a written work dealing systematically with the two main branches of thermodynamics, namely classical thermodynamics and statistical thermodynamics, together with some important indexes under only one cover, this treatise is so eminently useful.

  20. Classical field theory

    CERN Document Server

    Franklin, Joel

    2017-01-01

    Classical field theory, which concerns the generation and interaction of fields, is a logical precursor to quantum field theory, and can be used to describe phenomena such as gravity and electromagnetism. Written for advanced undergraduates, and appropriate for graduate level classes, this book provides a comprehensive introduction to field theories, with a focus on their relativistic structural elements. Such structural notions enable a deeper understanding of Maxwell's equations, which lie at the heart of electromagnetism, and can also be applied to modern variants such as Chern–Simons and Born–Infeld. The structure of field theories and their physical predictions are illustrated with compelling examples, making this book perfect as a text in a dedicated field theory course, for self-study, or as a reference for those interested in classical field theory, advanced electromagnetism, or general relativity. Demonstrating a modern approach to model building, this text is also ideal for students of theoretic...

  1. Injuries in classical ballet

    Directory of Open Access Journals (Sweden)

    Adriana Coutinho de Azevedo Guimarães

    2008-06-01

    Full Text Available This study aimed to elucidate what injuries are most likely to occur due to classical ballet practice. The research used national and international bibliography. The bibliography analysis indicated that technical and esthetical demands lead to a practice of non-anatomical movements, causing the ballet dancer to suffer from a number of associated lesions. Most of the injuries are caused by technical mistakes and wrong training. Troubles in children are usually due to trying to force external rotation at hip level and to undue use of point ballet slippers. The commonest lesions are in feet and ankles, followed by knees and hips. The rarest ones are in the upper limbs. These injuries are caused by exercise excess, by repetitions always in the same side and by wrong and early use of point slippers. The study reached the conclusion that incorrect application of classical ballet technique predisposes the dancers to characteristic injuries.

  2. Classical Diophantine equations

    CERN Document Server

    1993-01-01

    The author had initiated a revision and translation of "Classical Diophantine Equations" prior to his death. Given the rapid advances in transcendence theory and diophantine approximation over recent years, one might fear that the present work, originally published in Russian in 1982, is mostly superseded. That is not so. A certain amount of updating had been prepared by the author himself before his untimely death. Some further revision was prepared by close colleagues. The first seven chapters provide a detailed, virtually exhaustive, discussion of the theory of lower bounds for linear forms in the logarithms of algebraic numbers and its applications to obtaining upper bounds for solutions to the eponymous classical diophantine equations. The detail may seem stark--- the author fears that the reader may react much as does the tourist on first seeing the centre Pompidou; notwithstanding that, Sprind zuk maintainsa pleasant and chatty approach, full of wise and interesting remarks. His emphases well warrant, ...

  3. Electrodynamics classical inconsistencies

    CERN Document Server

    De Souza, M M

    1995-01-01

    The problems of Classical Electrodynamics with the electron equation of motion and with non-integrable singularity of its self-field stress tensor are well known. They are consequences, we show, of neglecting terms that are null off the charge world line but that gives a non null contribution on its world line. The self-field stress tensor of a point classical electron is integrable, there is no causality violation and no conflict with energy conservation in its equation of motion, and there is no need of any kind of renormalization nor of any change in the Maxwell's theory for this. (This is part of the paper hep-th/9510160, stripped , for simplicity, of its non-Minkowskian geometrization of causality and of its discussion about the physical meaning of the Maxwell-Faraday concept of field).

  4. Classical Weyl Transverse Gravity

    CERN Document Server

    Oda, Ichiro

    2016-01-01

    We study various classical aspects of the Weyl transverse (WTDiff) gravity in a general space-time dimension. First of all, we clarify a classical equivalence among three kinds of gravitational theories, those are, the conformally-invariant scalar tensor gravity, Einstein's general relativity and the WTDiff gravity via the gauge fixing procedure. Secondly, we show that in the WTDiff gravity the cosmological constant is a mere integration constant as in unimodular gravity, but it does not receive any radiative corrections unlike the unimodular gravity. A key point in this proof is to construct a covariantly conserved energy-momentum tensor, which is achieved on the basis of this equivalence relation. Thirdly, we demonstrate that the Noether current for the Weyl transformation is identically vanishing, thereby implying that the Weyl symmetry existing in both the conformally-invariant scalar tensor gravity and the WTDiff gravity is a "fake" symmetry. We find it possible to extend this proof to all matter fields,...

  5. Randomness: quantum versus classical

    CERN Document Server

    Khrennikov, Andrei

    2015-01-01

    Recent tremendous development of quantum information theory led to a number of quantum technological projects, e.g., quantum random generators. This development stimulates a new wave of interest in quantum foundations. One of the most intriguing problems of quantum foundations is elaboration of a consistent and commonly accepted interpretation of quantum state. Closely related problem is clarification of the notion of quantum randomness and its interrelation with classical randomness. In this short review we shall discuss basics of classical theory of randomness (which by itself is very complex and characterized by diversity of approaches) and compare it with irreducible quantum randomness. The second part of this review is devoted to the information interpretation of quantum mechanics (QM) in the spirit of Zeilinger and Brukner (and QBism of Fuchs et al.) and physics in general (e.g., Wheeler's "it from bit") as well as digital philosophy of Chaitin (with historical coupling to ideas of Leibnitz). Finally, w...

  6. Computation in Classical Mechanics

    CERN Document Server

    Timberlake, Todd

    2007-01-01

    There is a growing consensus that physics majors need to learn computational skills, but many departments are still devoid of computation in their physics curriculum. Some departments may lack the resources or commitment to create a dedicated course or program in computational physics. One way around this difficulty is to include computation in a standard upper-level physics course. An intermediate classical mechanics course is particularly well suited for including computation. We discuss the ways we have used computation in our classical mechanics courses, focusing on how computational work can improve students' understanding of physics as well as their computational skills. We present examples of computational problems that serve these two purposes. In addition, we provide information about resources for instructors who would like to include computation in their courses.

  7. Learning to assign binary weights to binary descriptor

    Science.gov (United States)

    Huang, Zhoudi; Wei, Zhenzhong; Zhang, Guangjun

    2016-10-01

    Constructing robust binary local feature descriptors are receiving increasing interest due to their binary nature, which can enable fast processing while requiring significantly less memory than their floating-point competitors. To bridge the performance gap between the binary and floating-point descriptors without increasing the computational cost of computing and matching, optimal binary weights are learning to assign to binary descriptor for considering each bit might contribute differently to the distinctiveness and robustness. Technically, a large-scale regularized optimization method is applied to learn float weights for each bit of the binary descriptor. Furthermore, binary approximation for the float weights is performed by utilizing an efficient alternatively greedy strategy, which can significantly improve the discriminative power while preserve fast matching advantage. Extensive experimental results on two challenging datasets (Brown dataset and Oxford dataset) demonstrate the effectiveness and efficiency of the proposed method.

  8. Revisiting a Classic

    Science.gov (United States)

    Rogers, Ibram

    2008-01-01

    As a 26-year-old English teacher in 1958, Chinua Achebe had no idea that the book he was writing would become a literary classic, not only in Africa but also throughout the world. He could only try to articulate the feelings he had for his countrymen and women. Achebe had a burning desire to tell the true story of Africa and African humanity. The…

  9. Lectures on classical electrodynamics

    CERN Document Server

    Englert, Berthold-Georg

    2014-01-01

    These lecture notes cover classical electrodynamics at the level of advanced undergraduates or postgraduates. There is a strong emphasis on the general features of the electromagnetic field and, in particular, on the properties of electromagnetic radiation. It offers a comprehensive and detailed, as well as self-contained, account of material that can be covered in a one-semester course for students with a solid undergraduate knowledge of basic electricity and magnetism.

  10. Invitation to classical analysis

    CERN Document Server

    Duren, Peter

    2012-01-01

    This book gives a rigorous treatment of selected topics in classical analysis, with many applications and examples. The exposition is at the undergraduate level, building on basic principles of advanced calculus without appeal to more sophisticated techniques of complex analysis and Lebesgue integration. Among the topics covered are Fourier series and integrals, approximation theory, Stirling's formula, the gamma function, Bernoulli numbers and polynomials, the Riemann zeta function, Tauberian theorems, elliptic integrals, ramifications of the Cantor set, and a theoretical discussion of differ

  11. Concepts of classical optics

    CERN Document Server

    Strong, John

    2004-01-01

    An intermediate course in optics, this volume explores both experimental and theoretical concepts, offering practical knowledge of geometrical optics that will enhance students' comprehension of any relevant applied science. Its exposition of the concepts of classical optics is presented with a minimum of mathematical detail but presumes some knowledge of calculus, vectors, and complex numbers.Subjects include light as wave motion; superposition of wave motions; electromagnetic waves; interaction of light and matter; velocities and scattering of light; polarized light and dielectric boundarie

  12. Rockets two classic papers

    CERN Document Server

    Goddard, Robert

    2002-01-01

    Rockets, in the primitive form of fireworks, have existed since the Chinese invented them around the thirteenth century. But it was the work of American Robert Hutchings Goddard (1882-1945) and his development of liquid-fueled rockets that first produced a controlled rocket flight. Fascinated by rocketry since boyhood, Goddard designed, built, and launched the world's first liquid-fueled rocket in 1926. Ridiculed by the press for suggesting that rockets could be flown to the moon, he continued his experiments, supported partly by the Smithsonian Institution and defended by Charles Lindbergh. T

  13. Volumetric behaviour of binary and ternary liquid systems composed of ethanol, isooctane, and toluene at temperatures from (298.15 to 328.15) K. Experimental data and correlation

    Energy Technology Data Exchange (ETDEWEB)

    Moravkova, L.; Wagner, Z.; Sedlakova, Z. [E. Hala Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals of the ASCR, v.v.i., 165 02 Prague 6 (Czech Republic); Linek, J., E-mail: linek@icpf.cas.cz [E. Hala Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals of the ASCR, v.v.i., 165 02 Prague 6 (Czech Republic)

    2011-12-15

    Highlights: > We measured density and speed of sound at four temperatures within (298.15 to 328.15) K. > Excess quantities were calculated and fitted to the Redlich-Kister equation. > The complete ternary data were fitted to the modified Redlich-Kister equation. > Even for the systems with self-associating alcohol, only one ternary parameter is sufficient. - Abstract: The densities and speeds of sound of (ethanol + isooctane), (ethanol + toluene), and (ethanol + isooctane + toluene) were measured at four temperatures over the range (298.15 to 328.15) K, and the respective values of excess volumes V{sub m}{sup E} and adiabatic compressibility {kappa}{sub S} were calculated. The V{sub m}{sup E} and {kappa}{sub S} values for the binary systems were fitted to the Redlich-Kister equation. The respective ternary data together with corresponding binary data were then fitted to the modified Redlich-Kister equation considering various numbers of ternary constants. It was found that even for the systems containing self-associating alcohol, only one ternary parameter is sufficient to describe well the ternary system.

  14. Classical Maxwellian polarization entanglement

    CERN Document Server

    Carroll, John E

    2015-01-01

    An explanation of polarization entanglement is presented using Maxwells classical electromagnetic theory.Two key features are required to understand these classical origins.The first is that all waves diffract and weakly diffracting waves,with a principal direction of propagation in the laboratory frame, travel along that direction at speeds ever so slightly less than c.This allows nontrivial Lorentz transformations that can act on selected forward F waves or selected waves R traveling in the opposite direction to show that both can arise from a single zero momentum frame where all the waves are transverse to the original principal direction.Such F and R waves then both belong to a single relativistic entity where correlations between the two are unremarkable.The second feature requires the avoidance of using the Coulomb gauge.Waves, tending to plane waves in the limit of zero diffraction,can then be shown to be composed of two coupled sets of E and B fields that demonstrate the classical entanglement of F an...

  15. Classical Weyl transverse gravity

    Energy Technology Data Exchange (ETDEWEB)

    Oda, Ichiro [University of the Ryukyus, Department of Physics, Faculty of Science, Nishihara, Okinawa (Japan)

    2017-05-15

    We study various classical aspects of the Weyl transverse (WTDiff) gravity in a general space-time dimension. First of all, we clarify a classical equivalence among three kinds of gravitational theories, those are, the conformally invariant scalar tensor gravity, Einstein's general relativity and the WTDiff gravity via the gauge-fixing procedure. Secondly, we show that in the WTDiff gravity the cosmological constant is a mere integration constant as in unimodular gravity, but it does not receive any radiative corrections unlike the unimodular gravity. A key point in this proof is to construct a covariantly conserved energy-momentum tensor, which is achieved on the basis of this equivalence relation. Thirdly, we demonstrate that the Noether current for the Weyl transformation is identically vanishing, thereby implying that the Weyl symmetry existing in both the conformally invariant scalar tensor gravity and the WTDiff gravity is a ''fake'' symmetry. We find it possible to extend this proof to all matter fields, i.e. the Weyl-invariant scalar, vector and spinor fields. Fourthly, it is explicitly shown that in the WTDiff gravity the Schwarzschild black hole metric and a charged black hole one are classical solutions to the equations of motion only when they are expressed in the Cartesian coordinate system. Finally, we consider the Friedmann-Lemaitre-Robertson-Walker (FLRW) cosmology and provide some exact solutions. (orig.)

  16. A New Thermodynamic Calculation Method for Binary Alloys: Part I: Statistical Calculation of Excess Functions

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The improved form of calculation formula for the activities of the components in binary liquids and solid alloys has been derived based on the free volume theory considering excess entropy and Miedema's model for calculating the formation heat of binary alloys. A calculation method of excess thermodynamic functions for binary alloys, the formulas of integral molar excess properties and partial molar excess properties for solid ordered or disordered binary alloys have been developed. The calculated results are in good agreement with the experimental values.

  17. Molecular simulation of fluid mixtures in bulk and at solid-liquid interfaces

    Science.gov (United States)

    Kern, Jesse L.

    The properties of a diverse range of mixture systems at interfaces are investigated using a variety of computational techniques. Molecular simulation is used to examine the thermodynamic, structural, and transport properties of heterogeneous systems of theoretical and practical importance. The study of binary hard-sphere mixtures at a hard wall demonstrates the high accuracy of recently developed classical-density functionals. The study of aluminum--gallium solid--liquid heterogeneous interfaces predicts a significant amount of prefreezing of the liquid by adopting the structure of the solid surface. The study of ethylene-expanded methanol within model silica mesopores shows the effect of confinement and surface functionalzation on the mixture composition and transport inside of the pores. From our molecular-dynamics study of binary hard-sphere fluid mixtures at a hard wall, we obtained high-precision calculations of the wall-fluid interfacial free energies, gamma. We have considered mixtures of varying diameter ratio, alpha = 0.7,0.8,0.9; mole fraction, x 1 = 0.25,0.50,0.75; and packing fraction, eta compressive stress on the Ga atoms. Bulk methanol--ethylene mixtures under vapor-liquid equilibrium conditions have been characterized using Monte Carlo and molecular dynamics. The simulated vapor-liquid coexistence curves for the pure-component and binary mixtures agree well with experiment, as do the mixture volumetric expansion results. Using chemical potentials obtained from the bulk simulations, the filling of a number of model silica mesopores with ethylene and methanol is simulated. We report the compositions of the confined fluid mixtures over a range of pressures and for three degrees of nominal pore hydrophobicity.

  18. On the Relationship between Classical Test Theory and Item Response Theory: From One to the Other and Back

    Science.gov (United States)

    Raykov, Tenko; Marcoulides, George A.

    2016-01-01

    The frequently neglected and often misunderstood relationship between classical test theory and item response theory is discussed for the unidimensional case with binary measures and no guessing. It is pointed out that popular item response models can be directly obtained from classical test theory-based models by accounting for the discrete…

  19. Liquids and liquid mixtures

    CERN Document Server

    Rowlinson, J S; Baldwin, J E; Buckingham, A D; Danishefsky, S

    2013-01-01

    Liquids and Liquid Mixtures, Third Edition explores the equilibrium properties of liquids and liquid mixtures and relates them to the properties of the constituent molecules using the methods of statistical thermodynamics. Topics covered include the critical state, fluid mixtures at high pressures, and the statistical thermodynamics of fluids and mixtures. This book consists of eight chapters and begins with an overview of the liquid state and the thermodynamic properties of liquids and liquid mixtures, including vapor pressure and heat capacities. The discussion then turns to the thermodynami

  20. Binary Tetrahedral Flavor Symmetry

    CERN Document Server

    Eby, David A

    2013-01-01

    A study of the T' Model and its variants utilizing Binary Tetrahedral Flavor Symmetry. We begin with a description of the historical context and motivations for this theory, together with some conceptual background for added clarity, and an account of our theory's inception in previous works. Our model endeavors to bridge two categories of particles, leptons and quarks, a unification made possible by the inclusion of additional Higgs particles, shared between the two fermion sectors and creating a single coherent system. This is achieved through the use of the Binary Tetrahedral symmetry group and an investigation of the Tribimaximal symmetry evidenced by neutrinos. Our work details perturbations and extensions of this T' Model as we apply our framework to neutrino mixing, quark mixing, unification, and dark matter. Where possible, we evaluate model predictions against experimental results and find excellent matching with the atmospheric and reactor neutrino mixing angles, an accurate prediction of the Cabibb...

  1. The Binary Garrote

    CERN Document Server

    Kappen, H J

    2011-01-01

    In this paper, I present a new model and solution method for sparse regression. The model introduces binary selector variables $s_i$ for the features $i$ in a way that is similar to Breiman's Garrote model. I refer to this method as the binary Garrote (BG). The posterior probability for $s_i$ is computed in the variational approximation. The BG is compared numerically with the Lasso method and with ridge regression. Numerical results on synthetic data show that the BG yields more accurate predictions and more accurately reconstructs the true model than the other methods. The naive implementation of the BG requires the inversion of a modified covariance matrix which scales cubic in the number of features. We indicate how for sparse problem the solution can be computed linear in the number of features.

  2. Binary Love Relations

    CERN Document Server

    Yagi, Kent

    2015-01-01

    When in a tight binary, the mutual tidal deformations of neutron stars imprint onto observables, encoding information about their internal structure at supranuclear densities and gravity in the extreme-gravity regime. Gravitational wave observations of their late binary inspiral may serve as a tool to extract the individual tidal deformabilities, but this is made difficult by degeneracies between them in the gravitational wave model. We here resolve this problem by discovering approximately universal relations between dimensionless combinations of the individual tidal deformabilities. We show that these relations break degeneracies in the gravitational wave model, allowing for the accurate extraction of both deformabilities. Such measurements can be used to better differentiate between equation-of-state models, and improve tests of General Relativity and cosmology.

  3. Binary Love relations

    Science.gov (United States)

    Yagi, Kent; Yunes, Nicolás

    2016-07-01

    When in a tight binary, the mutual tidal deformations of neutron stars get imprinted onto observables, encoding information about their internal structure at supranuclear densities and gravity in the extreme-gravity regime. Gravitational wave (GW) observations of their late binary inspiral may serve as a tool to extract the individual tidal deformabilities, but this is made difficult by degeneracies between them in the GW model. We here resolve this problem by discovering approximately equation-of-state (EoS)-insensitive relations between dimensionless combinations of the individual tidal deformabilities. We show that these relations break degeneracies in the GW model, allowing for the accurate extraction of both deformabilities. Such measurements can be used to better differentiate between EoS models, and improve tests of general relativity and cosmology.

  4. Thermodynamic properties for applications in chemical industry via classical force fields.

    Science.gov (United States)

    Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

    2012-01-01

    Thermodynamic properties of fluids are of key importance for the chemical industry. Presently, the fluid property models used in process design and optimization are mostly equations of state or G (E) models, which are parameterized using experimental data. Molecular modeling and simulation based on classical force fields is a promising alternative route, which in many cases reasonably complements the well established methods. This chapter gives an introduction to the state-of-the-art in this field regarding molecular models, simulation methods, and tools. Attention is given to the way modeling and simulation on the scale of molecular force fields interact with other scales, which is mainly by parameter inheritance. Parameters for molecular force fields are determined both bottom-up from quantum chemistry and top-down from experimental data. Commonly used functional forms for describing the intra- and intermolecular interactions are presented. Several approaches for ab initio to empirical force field parameterization are discussed. Some transferable force field families, which are frequently used in chemical engineering applications, are described. Furthermore, some examples of force fields that were parameterized for specific molecules are given. Molecular dynamics and Monte Carlo methods for the calculation of transport properties and vapor-liquid equilibria are introduced. Two case studies are presented. First, using liquid ammonia as an example, the capabilities of semi-empirical force fields, parameterized on the basis of quantum chemical information and experimental data, are discussed with respect to thermodynamic properties that are relevant for the chemical industry. Second, the ability of molecular simulation methods to describe accurately vapor-liquid equilibrium properties of binary mixtures containing CO(2) is shown.

  5. Instabilities in Interacting Binary Stars

    Science.gov (United States)

    Andronov, I. L.; Andrych, K. D.; Antoniuk, K. A.; Baklanov, A. V.; Beringer, P.; Breus, V. V.; Burwitz, V.; Chinarova, L. L.; Chochol, D.; Cook, L. M.; Cook, M.; Dubovský, P.; Godlowski, W.; Hegedüs, T.; Hoňková, K.; Hric, L.; Jeon, Y.-B.; Juryšek, J.; Kim, C.-H.; Kim, Y.; Kim, Y.-H.; Kolesnikov, S. V.; Kudashkina, L. S.; Kusakin, A. V.; Marsakova, V. I.; Mason, P. A.; Mašek, M.; Mishevskiy, N.; Nelson, R. H.; Oksanen, A.; Parimucha, S.; Park, J.-W.; Petrík, K.; Quiñones, C.; Reinsch, K.; Robertson, J. W.; Sergey, I. M.; Szpanko, M.; Tkachenko, M. G.; Tkachuk, L. G.; Traulsen, I.; Tremko, J.; Tsehmeystrenko, V. S.; Yoon, J.-N.; Zola, S.; Shakhovskoy, N. M.

    2017-07-01

    The types of instability in the interacting binary stars are briefly reviewed. The project “Inter-Longitude Astronomy” is a series of smaller projects on concrete stars or groups of stars. It has no special funds, and is supported from resources and grants of participating organizations, when informal working groups are created. This “ILA” project is in some kind similar and complementary to other projects like WET, CBA, UkrVO, VSOLJ, BRNO, MEDUZA, AstroStatistics, where many of us collaborate. Totally we studied 1900+ variable stars of different types, including newly discovered variables. The characteristic timescale is from seconds to decades and (extrapolating) even more. The monitoring of the first star of our sample AM Her was initiated by Prof. V.P. Tsesevich (1907-1983). Since more than 358 ADS papers were published. In this short review, we present some highlights of our photometric and photo-polarimetric monitoring and mathematical modeling of interacting binary stars of different types: classical (AM Her, QQ Vul, V808 Aur = CSS 081231:071126+440405, FL Cet), asynchronous (BY Cam, V1432 Aql), intermediate (V405 Aql, BG CMi, MU Cam, V1343 Her, FO Aqr, AO Psc, RXJ 2123, 2133, 0636, 0704) polars and magnetic dwarf novae (DO Dra) with 25 timescales corresponding to different physical mechanisms and their combinations (part “Polar”); negative and positive superhumpers in nova-like (TT Ari, MV Lyr, V603 Aql, V795 Her) and many dwarf novae stars (“Superhumper”); eclipsing “non-magnetic” cataclysmic variables(BH Lyn, DW UMa, EM Cyg; PX And); symbiotic systems (“Symbiosis”); super-soft sources (SSS, QR And); spotted (and not spotted) eclipsing variables with (and without) evidence for a current mass transfer (“Eclipser”) with a special emphasis on systems with a direct impact of the stream into the gainer star's atmosphere, which we propose to call “Impactor” (short from “Extreme Direct Impactor”), or V361 Lyr-type stars. Other

  6. Phase diagrams of binary crystalline-crystalline polymer blends.

    Science.gov (United States)

    Matkar, Rushikesh A; Kyu, Thein

    2006-08-17

    A thermodynamically self-consistent theory has been developed to establish binary phase diagrams for two-crystalline polymer blends by taking into consideration all interactions including amorphous-amorphous, crystal-amorphous, amorphous-crystal, and crystal-crystal interactions. The present theory basically involves combination of the Flory-Huggins free energy for amorphous-amorphous isotropic mixing and the Landau free energy of polymer solidification (e.g., crystallization) of the crystalline constituents. The self-consistent solution via minimization of the free energy of the mixture affords determination of eutectic, peritectic, and azeotrope phase diagrams involving various coexistence regions such as liquid-liquid, liquid-solid, and solid-solid coexistence regions bound by liquidus and solidus lines. To validate the present theory, the predicted eutectic phase diagrams have been compared with the reported experimental binary phase diagrams of blends such as polyethylene fractions as well as polycaprolactone/trioxane mixtures.

  7. Optical analogue of relativistic Dirac solitons in binary waveguide arrays

    Energy Technology Data Exchange (ETDEWEB)

    Tran, Truong X., E-mail: truong.tran@mpl.mpg.de [Department of Physics, Le Quy Don University, 236 Hoang Quoc Viet str., 10000 Hanoi (Viet Nam); Max Planck Institute for the Science of Light, Günther-Scharowsky str. 1, 91058 Erlangen (Germany); Longhi, Stefano [Department of Physics, Politecnico di Milano and Istituto di Fotonica e Nanotecnologie del Consiglio Nazionale delle Ricerche, Piazza L. da Vinci 32, I-20133 Milano (Italy); Biancalana, Fabio [Max Planck Institute for the Science of Light, Günther-Scharowsky str. 1, 91058 Erlangen (Germany); School of Engineering and Physical Sciences, Heriot-Watt University, EH14 4AS Edinburgh (United Kingdom)

    2014-01-15

    We study analytically and numerically an optical analogue of Dirac solitons in binary waveguide arrays in the presence of Kerr nonlinearity. Pseudo-relativistic soliton solutions of the coupled-mode equations describing dynamics in the array are analytically derived. We demonstrate that with the found soliton solutions, the coupled mode equations can be converted into the nonlinear relativistic 1D Dirac equation. This paves the way for using binary waveguide arrays as a classical simulator of quantum nonlinear effects arising from the Dirac equation, something that is thought to be impossible to achieve in conventional (i.e. linear) quantum field theory. -- Highlights: •An optical analogue of Dirac solitons in nonlinear binary waveguide arrays is suggested. •Analytical solutions to pseudo-relativistic solitons are presented. •A correspondence of optical coupled-mode equations with the nonlinear relativistic Dirac equation is established.

  8. Quantum memory receiver for superadditive communication using binary coherent states

    CERN Document Server

    Klimek, Aleksandra; Wasilewski, Wojciech; Banaszek, Konrad

    2015-01-01

    We propose a simple architecture based on multimode quantum memories for collective readout of classical information keyed using a pair coherent states, exemplified by the well-known binary phase shift keying format. Such a configuration enables demonstration of the superadditivity effect in classical communication over quantum channels, where the transmission rate becomes enhanced through joint detection applied to multiple channel uses. The proposed scheme relies on the recently introduced idea to prepare Hadamard sequences of input symbols that are mapped by a linear optical transformation onto the pulse position modulation format [Guha, S. {\\em Phys. Rev. Lett.}\\ {\\bf 2011}, {\\em 106}, 240502]. We analyze two versions of readout based on direct detection and an optional Dolinar receiver which implements the minimum-error measurement for individual detection of a binary coherent state alphabet.

  9. Quantum memory receiver for superadditive communication using binary coherent states.

    Science.gov (United States)

    Klimek, Aleksandra; Jachura, Michał; Wasilewski, Wojciech; Banaszek, Konrad

    2016-11-12

    We propose a simple architecture based on multimode quantum memories for collective readout of classical information keyed using a pair coherent states, exemplified by the well-known binary phase shift keying format. Such a configuration enables demonstration of the superadditivity effect in classical communication over quantum channels, where the transmission rate becomes enhanced through joint detection applied to multiple channel uses. The proposed scheme relies on the recently introduced idea to prepare Hadamard sequences of input symbols that are mapped by a linear optical transformation onto the pulse position modulation format [Guha, S. Phys. Rev. Lett.2011, 106, 240502]. We analyze two versions of readout based on direct detection and an optional Dolinar receiver which implements the minimum-error measurement for individual detection of a binary coherent state alphabet.

  10. Mechanics classical and quantum

    CERN Document Server

    Taylor, T T

    2015-01-01

    Mechanics: Classical and Quantum explains the principles of quantum mechanics via the medium of analytical mechanics. The book describes Schrodinger's formulation, the Hamilton-Jacobi equation, and the Lagrangian formulation. The author discusses the Harmonic Oscillator, the generalized coordinates, velocities, as well as the application of the Lagrangian formulation to systems that are partially or entirely electromagnetic in character under certain conditions. The book examines waves on a string under tension, the isothermal cavity radiation, and the Rayleigh-Jeans result pertaining to the e

  11. On Classical Ideal Gases

    Directory of Open Access Journals (Sweden)

    Laurent Chusseau

    2013-02-01

    Full Text Available We show that the thermodynamics of ideal gases may be derived solely from the Democritean concept of corpuscles moving in vacuum plus a principle of simplicity, namely that these laws are independent of the laws of motion, aside from the law of energy conservation. Only a single corpuscle in contact with a heat bath submitted to a z and t-invariant force is considered. Most of the end results are known but the method appears to be novel. The mathematics being elementary, the present paper should facilitate the understanding of the ideal gas law and of classical thermodynamics even though not-usually-taught concepts are being introduced.

  12. Semi-classical Electrodynamics

    Science.gov (United States)

    Lestone, John

    2016-03-01

    Quantum electrodynamics is complex and its associated mathematics can appear overwhelming for those not trained in this field. We describe semi-classical approaches that can be used to obtain a more intuitive physical feel for several QED processes including electro-statics, Compton scattering, pair annihilation, the anomalous magnetic moment, and the Lamb shift, that could be taught easily to undergraduate students. Any physicist who brings their laptop to the talk will be able to build spread sheets in less than 10 minutes to calculate g/2 =1.001160 and a Lamb shift of 1057 MHz.

  13. Classical cytogenetics: karyotyping techniques.

    Science.gov (United States)

    Bates, Steven E

    2011-01-01

    Classical cytogenetics by karyotyping has been utilized in clinical research laboratories for more than 50 years and remains the key method used in the stem cell laboratory to assess the genetic stability of stem cell cultures. It is currently the most readily accessible method for detecting chromosomal abnormalities in pluripotent stem cell cultures. This chapter will describe (1) how to prepare a culture to maximize the number of metaphase cells, (2) how to prepare slides containing chromosome spreads (3) methods used to stain chromosomes, and (4) how to interpret the cytogenetic report.

  14. Classical Trace Anomaly

    OpenAIRE

    Farhoudi, M.

    1995-01-01

    We seek an analogy of the mathematical form of the alternative form of Einstein's field equations for Lovelock's field equations. We find that the price for this analogy is to accept the existence of the trace anomaly of the energy-momentum tensor even in classical treatments. As an example, we take this analogy to any generic second order Lagrangian and exactly derive the trace anomaly relation suggested by Duff. This indicates that an intrinsic reason for the existence of such a relation sh...

  15. A Classic Through Eternity

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    FIVE years ago, an ancient Chinese air was beamed to outer space as a PR exercise. To humankind, music is a universal language, so the tune seemed an ideal medium for communication with extraterrestrial intelligence. So far there has been no response, but it is believed that the tune will play for a billion years, and eventually be heard and understood. The melody is called High Mountain and Flowing Stream, and it is played on the guqin, a seven-stringed classical musical instrument similar to the zither.

  16. Perturbation Theory of Large-Particle Diffusion in a Binary Solvent Mixture

    Science.gov (United States)

    Nakamura, Yuka; Yoshimori, Akira; Akiyama, Ryo

    2014-06-01

    We study the diffusion of a large spherical particle immersed in a binary compressive liquid mixture using a perturbation theory. We focus on the breakdown of the Stokes-Einstein (SE) relation caused by the microscopic solvation structure of binary solvent particles around a solute particle. In order to consider the solvation structure, we solve multicomponent generalized Langevin equations by singular perturbation expansion. Then, we assume that solvent particles are much smaller than the solute particle. Solving the equations, we express the diffusion coefficient analytically using the radial distribution functions of a binary mixture. The expression shows the breakdown of the SE relation if the density distribution of a binary solvent is inhomogeneous around a solute particle. Actually, we show that the SE relation breaks down when a large hard sphere diffuses in a binary hard-sphere mixture. We observe the large deviation from the SE relation, which is a result specific to the binary solvent.

  17. Rényi entropy measure of noise-aided information transmission in a binary channel.

    Science.gov (United States)

    Chapeau-Blondeau, François; Rousseau, David; Delahaies, Agnès

    2010-05-01

    This paper analyzes a binary channel by means of information measures based on the Rényi entropy. The analysis extends, and contains as a special case, the classic reference model of binary information transmission based on the Shannon entropy measure. The extended model is used to investigate further possibilities and properties of stochastic resonance or noise-aided information transmission. The results demonstrate that stochastic resonance occurs in the information channel and is registered by the Rényi entropy measures at any finite order, including the Shannon order. Furthermore, in definite conditions, when seeking the Rényi information measures that best exploit stochastic resonance, then nontrivial orders differing from the Shannon case usually emerge. In this way, through binary information transmission, stochastic resonance identifies optimal Rényi measures of information differing from the classic Shannon measure. A confrontation of the quantitative information measures with visual perception is also proposed in an experiment of noise-aided binary image transmission.

  18. Probability representation of classical states

    NARCIS (Netherlands)

    Man'ko, OV; Man'ko, [No Value; Pilyavets, OV

    2005-01-01

    Probability representation of classical states described by symplectic tomograms is discussed. Tomographic symbols of classical observables which are functions on phase-space are studied. Explicit form of kernel of commutative star-product of the tomographic symbols is obtained.

  19. Binary-Signal Recovery

    Science.gov (United States)

    Griebeler, Elmer L.

    2011-01-01

    Binary communication through long cables, opto-isolators, isolating transformers, or repeaters can become distorted in characteristic ways. The usual solution is to slow the communication rate, change to a different method, or improve the communication media. It would help if the characteristic distortions could be accommodated at the receiving end to ease the communication problem. The distortions come from loss of the high-frequency content, which adds slopes to the transitions from ones to zeroes and zeroes to ones. This weakens the definition of the ones and zeroes in the time domain. The other major distortion is the reduction of low frequency, which causes the voltage that defines the ones or zeroes to drift out of recognizable range. This development describes a method for recovering a binary data stream from a signal that has been subjected to a loss of both higher-frequency content and low-frequency content that is essential to define the difference between ones and zeroes. The method makes use of the frequency structure of the waveform created by the data stream, and then enhances the characteristics related to the data to reconstruct the binary switching pattern. A major issue is simplicity. The approach taken here is to take the first derivative of the signal and then feed it to a hysteresis switch. This is equivalent in practice to using a non-resonant band pass filter feeding a Schmitt trigger. Obviously, the derivative signal needs to be offset to halfway between the thresholds of the hysteresis switch, and amplified so that the derivatives reliably exceed the thresholds. A transition from a zero to a one is the most substantial, fastest plus movement of voltage, and therefore will create the largest plus first derivative pulse. Since the quiet state of the derivative is sitting between the hysteresis thresholds, the plus pulse exceeds the plus threshold, switching the hysteresis switch plus, which re-establishes the data zero to one transition

  20. Optimal control of electrostatic self-assembly of binary monolayers

    Science.gov (United States)

    Shestopalov, N. V.; Henkelman, G.; Powell, C. T.; Rodin, G. J.

    2009-05-01

    A simple macroscopic model is used to determine an optimal annealing schedule for self-assembly of binary monolayers of spherical particles. The model assumes that a single rate-controlling mechanism is responsible for the formation of spatially ordered structures and that its rate follows an Arrhenius form. The optimal schedule is derived in an analytical form using classical optimization methods. Molecular dynamics simulations of the self-assembly demonstrate that the proposed schedule outperforms other schedules commonly used for simulated annealing.

  1. A Simple Analytical Formulation for Periodic Orbits in Binary Stars

    CERN Document Server

    Nagel, Erick

    2007-01-01

    An analytical approximation to periodic orbits in the circular restricted three-body problem is provided. The formulation given in this work is based in calculations known from classical mechanics, but with the addition of the necessary terms to give a fairly good approximation that we compare with simulations, resulting in a simple set of analytical expressions that solve periodic orbits on discs of binary systems without the need of solving the motion equations by numerical integrations.

  2. Massive Black Hole Binary Evolution

    Directory of Open Access Journals (Sweden)

    Merritt David

    2005-11-01

    Full Text Available Coalescence of binary supermassive black holes (SBHs would constitute the strongest sources of gravitational waves to be observed by LISA. While the formation of binary SBHs during galaxy mergers is almost inevitable, coalescence requires that the separation between binary components first drop by a few orders of magnitude, due presumably to interaction of the binary with stars and gas in a galactic nucleus. This article reviews the observational evidence for binary SBHs and discusses how they would evolve. No completely convincing case of a bound, binary SBH has yet been found, although a handful of systems (e.g. interacting galaxies; remnants of galaxy mergers are now believed to contain two SBHs at projected separations of <~ 1kpc. N-body studies of binary evolution in gas-free galaxies have reached large enough particle numbers to reproduce the slow, “diffusive” refilling of the binary’s loss cone that is believed to characterize binary evolution in real galactic nuclei. While some of the results of these simulations - e.g. the binary hardening rate and eccentricity evolution - are strongly N-dependent, others - e.g. the “damage” inflicted by the binary on the nucleus - are not. Luminous early-type galaxies often exhibit depleted cores with masses of ~ 1-2 times the mass of their nuclear SBHs, consistent with the predictions of the binary model. Studies of the interaction of massive binaries with gas are still in their infancy, although much progress is expected in the near future. Binary coalescence has a large influence on the spins of SBHs, even for mass ratios as extreme as 10:1, and evidence of spin-flips may have been observed.

  3. Experimental and calculated liquid-liquid interfacial tension in demixing metal alloys

    Institute of Scientific and Technical Information of China (English)

    Walter Hoyer; Ivan Kaban

    2006-01-01

    Liquid-liquid interfacial tension in binary and ternary Al-based monotectic systems has been determined experimentally with a tensiometric method in a wide temperature interval. The temperature dependence of the interfacial tension is well described by a power law function of the type σαβ~ (1 - T/Tc)δ with the critical exponent δ = 1.3 and a critical tem perature TC. Theoretical models describing the liquid-liquid interface in monotectic alloys and their applicability for calculation of the interfacial tension and its temperature dependence in binary systems are considered.

  4. Classical Trajectories and Quantum Spectra

    Science.gov (United States)

    Mielnik, Bogdan; Reyes, Marco A.

    1996-01-01

    A classical model of the Schrodinger's wave packet is considered. The problem of finding the energy levels corresponds to a classical manipulation game. It leads to an approximate but non-perturbative method of finding the eigenvalues, exploring the bifurcations of classical trajectories. The role of squeezing turns out decisive in the generation of the discrete spectra.

  5. Dielectric studies of binary mixtures of -propyl alcohol and ethylenediamine

    Indian Academy of Sciences (India)

    B S Narwade; P G Gawali; Rekha Pande; G M Kalamse

    2005-11-01

    Dielectric constant (') and dielectric loss (") of -propyl alcohol (PA), ethylenediamine (EDA) and their binary mixtures, for different mole fractions of ethylenediamine have been experimentally measured at 11.15 GHz microwave frequency. Values of density (), viscosity () and square refractive index ($n^{2}_{D}$) of binary mixtures as well as those of pure liquids are reported. Excess square refractive index, viscosity and activation energy of viscous flow have also been estimated. These parameters have been used to explain the formation of complexes in the system.

  6. Polytope Representations for Linear-Programming Decoding of Non-Binary Linear Codes

    CERN Document Server

    Skachek, Vitaly; Byrne, Eimear; Greferath, Marcus

    2007-01-01

    In previous work, we demonstrated how decoding of a non-binary linear code could be formulated as a linear-programming problem. In this paper, we study different polytopes for use with linear-programming decoding, and show that for many classes of codes these polytopes yield a complexity advantage for decoding. These representations lead to polynomial-time decoders for a wide variety of classical non-binary linear codes.

  7. Visual binary stars: data to investigate formation of binaries

    Science.gov (United States)

    Kovaleva,, D.; Malkov,, O.; Yungelson, L.; Chulkov, D.

    Statistics of orbital parameters of binary stars as well as statistics of their physical characteristics bear traces of star formation history. However, statistical investigations of binaries are complicated by incomplete or missing observational data and by a number of observational selection effects. Visual binaries are the most common type of observed binary stars, with the number of pairs exceeding 130 000. The most complete list of presently known visual binary stars was compiled by cross-matching objects and combining data of the three largest catalogues of visual binaries. This list was supplemented by the data on parallaxes, multicolor photometry, and spectral characteristics taken from other catalogues. This allowed us to compensate partly for the lack of observational data for these objects. The combined data allowed us to check the validity of observational values and to investigate statistics of the orbital and physical parameters of visual binaries. Corrections for incompleteness of observational data are discussed. The datasets obtained, together with modern distributions of binary parameters, will be used to reconstruct the initial distributions and parameters of the function of star formation for binary systems.

  8. Binary droplet collision at high Weber number.

    Science.gov (United States)

    Pan, Kuo-Long; Chou, Ping-Chung; Tseng, Yu-Jen

    2009-09-01

    By using the techniques developed for generating high-speed droplets, we have systematically investigated binary droplet collision when the Weber number (We) was increased from the range usually tested in previous studies on the order of 10 to a much larger value of about 5100 for water (a droplet at 23 m/s with a diameter of 0.7 mm). Various liquids were also used to explore the effects of viscosity and surface tension. Specifically, beyond the well-known regimes at moderate We's, which exhibited coalescence, separation, and separation followed by satellite droplets, we found different behaviors showing a fingering lamella, separation after fingering, breakup of outer fingers, and prompt splattering into multiple secondary droplets as We was increased. The critical Weber numbers that mark the boundaries between these impact regimes are identified. The specific impact behaviors, such as fingering and prompt splattering or splashing, share essential similarity with those also observed in droplet-surface impacts, whereas substantial variations in the transition boundaries may result from the disparity of the boundary conditions at impacts. To compare the outcomes of both types of collisions, a simple model based on energy conservation was carried out to predict the maximum diameter of an expanding liquid disk for a binary droplet collision. The results oppose the dominance of viscous drag, as proposed by previous studies, as the main deceleration force to effect a Rayleigh-Taylor instability and ensuing periphery fingers, which may further lead to the formations of satellite droplets.

  9. Classical and quantum anisotropic Heisenberg antiferromagnets

    Directory of Open Access Journals (Sweden)

    W. Selke

    2009-01-01

    Full Text Available We study classical and quantum Heisenberg antiferromagnets with exchange anisotropy of XXZ-type and crystal field single-ion terms of quadratic and quartic form in a field. The magnets display a variety of phases, including the spin-flop (or, in the quantum case, spin-liquid and biconical (corresponding, in the quantum lattice gas description, to supersolid phases. Applying ground-state considerations, Monte Carlo and density matrix renormalization group methods, the impact of quantum effects and lattice dimension is analysed. Interesting critical and multicritical behaviour may occur at quantum and thermal phase transitions.

  10. Perspective: Quantum or classical coherence?

    Science.gov (United States)

    Miller, William H

    2012-06-07

    Some coherence effects in chemical dynamics are described correctly by classical mechanics, while others only appear in a quantum treatment--and when these are observed experimentally it is not always immediately obvious whether their origin is classical or quantum. Semiclassical theory provides a systematic way of adding quantum coherence to classical molecular dynamics and thus provides a useful way to distinguish between classical and quantum coherence. Several examples are discussed which illustrate both cases. Particularly interesting is the situation with electronically non-adiabatic processes, where sometimes whether the coherence effects are classical or quantum depends on what specific aspects of the process are observed.

  11. Free energy change of off-eutectic binary alloys on solidification

    Science.gov (United States)

    Ohsaka, K.; Trinh, E. H.; Lin, J.-C.; Perepezko, J. H.

    1991-01-01

    A formula for the free energy difference between the undercooled liquid phase and the stable solid phase is derived for off-eutectic binary alloys in which the equilibrium solid/liquid transition takes place over a certain temperature range. The free energy change is then evaluated numerically for a Bi-25 at. pct Cd alloy modeled as a sub-subregular solution.

  12. Systematic improvement of classical nucleation theory.

    Science.gov (United States)

    Prestipino, Santi; Laio, Alessandro; Tosatti, Erio

    2012-06-01

    We reconsider the applicability of classical nucleation theory (CNT) to the calculation of the free energy of solid cluster formation in a liquid and its use to the evaluation of interface free energies from nucleation barriers. Using two different freezing transitions (hard spheres and NaCl) as test cases, we first observe that the interface-free-energy estimates based on CNT are generally in error. As successive refinements of nucleation-barrier theory, we consider corrections due to a nonsharp solid-liquid interface and to a nonspherical cluster shape. Extensive calculations for the Ising model show that corrections due to a nonsharp and thermally fluctuating interface account for the barrier shape with excellent accuracy. The experimental solid nucleation rates that are measured in colloids are better accounted for by these non-CNT terms, whose effect appears to be crucial in the interpretation of data and in the extraction of the interface tension from them.

  13. Classical and quantum physics of hydrogen clusters.

    Science.gov (United States)

    Mezzacapo, Fabio; Boninsegni, Massimo

    2009-04-22

    We present results of a comprehensive theoretical investigation of the low temperature (T) properties of clusters of para-hydrogen (p-H(2)), both pristine as well as doped with isotopic impurities (i.e., ortho-deuterium, o-D(2)). We study clusters comprising up to N = 40 molecules, by means of quantum simulations based on the continuous-space Worm algorithm. Pristine p-H(2) clusters are liquid-like and superfluid in the [Formula: see text] limit. The superfluid signal is uniform throughout these clusters; it is underlain by long cycles of permutation of molecules. Clusters with more than 22 molecules display solid-like, essentially classical behavior at temperatures down to T∼1 K; some of them are seen to turn liquid-like at sufficiently low T (quantum melting).

  14. Mechanical Systems, Classical Models

    CERN Document Server

    Teodorescu, Petre P

    2009-01-01

    This third volume completes the Work Mechanical Systems, Classical Models. The first two volumes dealt with particle dynamics and with discrete and continuous mechanical systems. The present volume studies analytical mechanics. Topics like Lagrangian and Hamiltonian mechanics, the Hamilton-Jacobi method, and a study of systems with separate variables are thoroughly discussed. Also included are variational principles and canonical transformations, integral invariants and exterior differential calculus, and particular attention is given to non-holonomic mechanical systems. The author explains in detail all important aspects of the science of mechanics, regarded as a natural science, and shows how they are useful in understanding important natural phenomena and solving problems of interest in applied and engineering sciences. Professor Teodorescu has spent more than fifty years as a Professor of Mechanics at the University of Bucharest and this book relies on the extensive literature on the subject as well as th...

  15. Supersymmetric classical cosmology

    CERN Document Server

    Escamilla-Rivera, Celia; Urena-Lopez, L Arturo

    2010-01-01

    In this work a supersymmetric cosmological model is analyzed in which we consider a general superfield action of a homogeneous scalar field supermultiplet interacting with the scale factor in a supersymmetric FRW model. There appear fermionic superpartners associated with both the scale factor and the scalar field, and classical equations of motion are obtained from the super-Wheeler-DeWitt equation through the usual WKB method. The resulting supersymmetric Einstein-Klein-Gordon equations contain extra radiation and stiff matter terms, and we study their solutions in flat space for different scalar field potentials. The solutions are compared to the standard case, in particular those corresponding to the exponential potential, and their implications for the dynamics of the early Universe are discussed in turn.

  16. Classical and Quantum Polyhedra

    CERN Document Server

    Schliemann, John

    2014-01-01

    Quantum polyhedra constructed from angular momentum operators are the building blocks of space in its quantum description as advocated by Loop Quantum Gravity. Here we extend previous results on the semiclassical properties of quantum polyhedra. Regarding tetrahedra, we compare the results from a canonical quantization of the classical system with a recent wave function based approach to the large-volume sector of the quantum system. Both methods agree in the leading order of the resulting effective operator (given by an harmonic oscillator), while minor differences occur in higher corrections. Perturbative inclusion of such corrections improves the approximation to the eigenstates. Moreover, the comparison of both methods leads also to a full wave function description of the eigenstates of the (square of the) volume operator at negative eigenvalues of large modulus. For the case of general quantum polyhedra described by discrete angular momentum quantum numbers we formulate a set of quantum operators fulfill...

  17. Grassmannization of classical models

    CERN Document Server

    Pollet, Lode; Prokof'ev, Nikolay V; Svistunov, Boris V

    2016-01-01

    Applying Feynman diagrammatics to non-fermionic strongly correlated models with local constraints might seem generically impossible for two separate reasons: (i) the necessity to have a Gaussian (non-interacting) limit on top of which the perturbative diagrammatic expansion is generated by Wick's theorem, and (ii) the Dyson's collapse argument implying that the expansion in powers of coupling constant is divergent. We show that for arbitrary classical lattice models both problems can be solved/circumvented by reformulating the high-temperature expansion (more generally, any discrete representation of the model) in terms of Grassmann integrals. Discrete variables residing on either links, plaquettes, or sites of the lattice are associated with the Grassmann variables in such a way that the partition function (and correlations) of the original system and its Grassmann-field counterpart are identical. The expansion of the latter around its Gaussian point generates Feynman diagrams. A proof-of-principle implement...

  18. Classical and quantum cosmology

    CERN Document Server

    Calcagni, Gianluca

    2017-01-01

    This comprehensive textbook is devoted to classical and quantum cosmology, with particular emphasis on modern approaches to quantum gravity and string theory and on their observational imprint. It covers major challenges in theoretical physics such as the big bang and the cosmological constant problem. An extensive review of standard cosmology, the cosmic microwave background, inflation and dark energy sets the scene for the phenomenological application of all the main quantum-gravity and string-theory models of cosmology. Born of the author's teaching experience and commitment to bridging the gap between cosmologists and theoreticians working beyond the established laws of particle physics and general relativity, this is a unique text where quantum-gravity approaches and string theory are treated on an equal footing. As well as introducing cosmology to undergraduate and graduate students with its pedagogical presentation and the help of 45 solved exercises, this book, which includes an ambitious bibliography...

  19. Classically Isospinning Hopf Solitons

    CERN Document Server

    Battye, Richard A

    2013-01-01

    We perform full 3-dimensional numerical relaxations of isospinning Hopf solitons with Hopf charge up to 8 in the Skyrme-Faddeev model with mass terms included. We explicitly allow the soliton solution to deform and to break the symmetries of the static configuration. It turns out that the model with its rich spectrum of soliton solutions, often of similiar energy, allows for transmutations, formation of new solution types and the rearrangement of the spectrum of minimal-energy solitons in a given topological sector when isospin is added. We observe that the shape of isospinning Hopf solitons can differ qualitatively from that of the static solution. In particular the solution type of the lowest energy soliton can change. Our numerical results are of relevance for the quantization of the classical soliton solutions.

  20. Theory of liquids and other disordered media a short introduction

    CERN Document Server

    Schirmacher, Walter

    2015-01-01

    This set of lectures provides an introduction to the structure, thermodynamics and dynamics of liquids, binary solutions and polymers at a level that will enable graduate students and non-specialist researchers to understand more specialized literature and to possibly start their own work in this field. Part I starts with the introduction of distribution functions, which describe the statistical arrangements of atoms or molecules in a simple liquid. The main concepts involve mean field theories like the Perkus-Yevick theory and the random phase approximation, which relate the forces to the distribution functions. In order to provide a concise, self-contained text, an understanding of the general statistical mechanics of an interacting many-body system is assumed. The fact that in a classic liquid the static and dynamic aspects of such a system can be discussed separately forms the basis of the two-fold structure of this approach. In order to allow polymer melts and solutions to be discussed, a short chapter a...

  1. Vapor condensation onto a non-volatile liquid drop

    Energy Technology Data Exchange (ETDEWEB)

    Inci, Levent; Bowles, Richard K., E-mail: richard.bowles@usask.ca [Department of Chemistry, University of Saskatchewan, Saskatoon, Saskatchewan S7N 5C9 (Canada)

    2013-12-07

    Molecular dynamics simulations of miscible and partially miscible binary Lennard–Jones mixtures are used to study the dynamics and thermodynamics of vapor condensation onto a non-volatile liquid drop in the canonical ensemble. When the system volume is large, the driving force for condensation is low and only a submonolayer of the solvent is adsorbed onto the liquid drop. A small degree of mixing of the solvent phase into the core of the particles occurs for the miscible system. At smaller volumes, complete film formation is observed and the dynamics of film growth are dominated by cluster-cluster coalescence. Mixing into the core of the droplet is also observed for partially miscible systems below an onset volume suggesting the presence of a solubility transition. We also develop a non-volatile liquid drop model, based on the capillarity approximations, that exhibits a solubility transition between small and large drops for partially miscible mixtures and has a hysteresis loop similar to the one observed in the deliquescence of small soluble salt particles. The properties of the model are compared to our simulation results and the model is used to study the formulation of classical nucleation theory for systems with low free energy barriers.

  2. Citation classics in epilepsy

    Directory of Open Access Journals (Sweden)

    Maryann Wilson

    2013-01-01

    Full Text Available BACKGROUND: The impact of a scientific article is proportional to the citations it has received. In this study, we set out to identify the most cited works in epileptology in order to evaluate research trends in this field. METHODS: According to the Web of Science database, articles with more than 400 citations qualify as "citation classics". We conducted a literature search on the ISI Web of Science bibliometric database for scientific articles relevant to epilepsy. RESULTS: We retrieved 67 highly cited articles (400 or more citations, which were published in 31 journals: 17 clinical studies, 42 laboratory studies, 5 reviews and 3 classification articles. Clinical studies consisted of epidemiological analyses (n=3, studies on the clinical phenomenology of epilepsy (n=5 – including behavioral and prognostic aspects – and articles focusing on pharmacological (n=6 and non-pharmacological (n=3 treatment. The laboratory studies dealt with genetics (n=6, animal models (n=27, and neurobiology (n=9 – including both neurophysiology and neuropathology studies. The majority (61% of citation classics on epilepsy were published after 1986, possibly reflecting the expansion of research interest in laboratory studies driven by the development of new methodologies, specifically in the fields of genetics and animal models. Consequently, clinical studies were highly cited both before and after the mid 80s, whilst laboratory researches became widely cited after 1990. CONCLUSIONS: Our study indicates that the main drivers of scientific impact in the field of epileptology have increasingly become genetic and neurobiological studies, along with research on animal models of epilepsy. These articles are able to gain the highest numbers of citations in the time span of a few years and suggest potential directions for future research.

  3. Chaos in Binary Category Computation

    CERN Document Server

    Gonçalves, Carlos Pedro

    2010-01-01

    Category computation theory deals with a web-based systemic processing that underlies the morphic webs, which constitute the basis of categorial logical calculus. It is proven that, for these structures, algorithmically incompressible binary patterns can be morphically compressed, with respect to the local connectivities, in a binary morphic program. From the local connectivites, there emerges a global morphic connection that can be characterized by a low length binary string, leading to the identification of chaotic categorial dynamics, underlying the algorithmically random pattern. The work focuses on infinite binary chains of C2, which is a category that implements an X-OR-based categorial logical calculus.

  4. Rotational mixing in close binaries

    CERN Document Server

    de Mink, S E; Langer, N; Yoon, S -Ch; Brott, I; Glebbeek, E; Verkoulen, M; Pols, O R

    2008-01-01

    Rotational mixing is a very important but uncertain process in the evolution of massive stars. We propose to use close binaries to test its efficiency. Based on rotating single stellar models we predict nitrogen surface enhancements for tidally locked binaries. Furthermore we demonstrate the possibility of a new evolutionary scenario for very massive (M > 40 solar mass) close (P < 3 days) binaries: Case M, in which mixing is so efficient that the stars evolve quasi-chemically homogeneously, stay compact and avoid any Roche-lobe overflow, leading to very close (double) WR binaries.

  5. Evolution of Close Binary Systems

    Energy Technology Data Exchange (ETDEWEB)

    Yakut, K; Eggleton, P

    2005-01-24

    We collected data on the masses, radii, etc. of three classes of close binary stars: low-temperature contact binaries (LTCBs), near-contact binaries (NCBs), and detached close binaries (DCBs). They restrict themselves to systems where (1) both components are, at least arguably, near the Main Sequence, (2) the periods are less than a day, and (3) there is both spectroscopic and photometric analysis leading to reasonably reliable data. They discuss the possible evolutionary connections between these three classes, emphasizing the roles played by mass loss and angular momentum loss in rapidly-rotating cool stars.

  6. Low autocorrelation binary sequences

    Science.gov (United States)

    Packebusch, Tom; Mertens, Stephan

    2016-04-01

    Binary sequences with minimal autocorrelations have applications in communication engineering, mathematics and computer science. In statistical physics they appear as groundstates of the Bernasconi model. Finding these sequences is a notoriously hard problem, that so far can be solved only by exhaustive search. We review recent algorithms and present a new algorithm that finds optimal sequences of length N in time O(N {1.73}N). We computed all optimal sequences for N≤slant 66 and all optimal skewsymmetric sequences for N≤slant 119.

  7. Microlensing modulation by binaries

    CERN Document Server

    Dubath, F; Durrer, R; Dubath, Florian; Gasparini, Maria Alice; Durrer, Ruth

    2006-01-01

    We compute the effect of the lens quadrupole on microlensing. The time dependence of the quadrupole can lead to specific modulations of the amplification signal. We study especially binary system lenses in our galaxy. The modulation is observable if the rotation period of the system is smaller than the time over which the amplification is significant and if the impact parameter of the passing light ray is sufficiently close to the Einstein radius so that the amplification is very large. Observations of this modulation can reveal important information on the quadrupole and thus on the gravitational radiation emitted by the lens.

  8. Testing Asteroseismic Scaling Relations using Eclipsing Binaries in Star Clusters and the Field

    DEFF Research Database (Denmark)

    Brogaard, K.; Jessen-Hansen, J.; Handberg, R.;

    2016-01-01

    The accuracy of stellar masses and radii determined from asteroseismology is not known! We examine this issue for giant stars by comparing classical measurements of detached eclipsing binary systems (dEBs) with asteroseismic measurements from the Kepler mission. For star clusters, we extrapolate...... measurements of dEBs in the turn-off region to the red giant branch and the red clump where we investigate the giants as an ensemble. For the field stars, we measure dEBs with an oscillating giant component. These measurements allow a comparison of masses and radii calculated from a classical eclipsing binary...

  9. Magnetic binary nanofillers

    Energy Technology Data Exchange (ETDEWEB)

    Morales Mendoza, N. [INQUIMAE, CONICET-UBA, Ciudad Universitaria, Pab2, (C1428EHA) Bs As (Argentina); LPyMC, Dep. De Fisica, FCEN-UBA and IFIBA -CONICET, Ciudad Universitaria, Cap. Fed. (Argentina); Goyanes, S. [LPyMC, Dep. De Fisica, FCEN-UBA and IFIBA -CONICET, Ciudad Universitaria, Cap. Fed. (Argentina); Chiliotte, C.; Bekeris, V. [LBT, Dep. De Fisica, FCEN-UBA. Ciudad Universitaria, Pab1, C1428EGA CABA (Argentina); Rubiolo, G. [LPyMC, Dep. De Fisica, FCEN-UBA and IFIBA -CONICET, Ciudad Universitaria, Cap. Fed. (Argentina); Unidad de Actividad Materiales, CNEA, Av Gral. Paz 1499, San Martin (1650), Prov. de Bs As (Argentina); Candal, R., E-mail: candal@qi.fcen.uba.ar [INQUIMAE, CONICET-UBA, Ciudad Universitaria, Pab2, (C1428EHA) Bs As (Argentina); Escuela de Ciencia y Tecnologia, 3iA, Universidad de Gral. San Martin, San Martin, Prov. Bs As (Argentina)

    2012-08-15

    Magnetic binary nanofillers containing multiwall carbon nanotubes (MWCNT) and hercynite were synthesized by Chemical Vapor Deposition (CVD) on Fe/AlOOH prepared by the sol-gel method. The catalyst precursor was fired at 450 Degree-Sign C, ground and sifted through different meshes. Two powders were obtained with different particle sizes: sample A (50-75 {mu}m) and sample B (smaller than 50 {mu}m). These powders are composed of iron oxide particles widely dispersed in the non-crystalline matrix of aluminum oxide and they are not ferromagnetic. After reduction process the powders are composed of {alpha}-Fe nanoparticles inside hercynite matrix. These nanofillers are composed of hercynite containing {alpha}-Fe nanoparticles and MWCNT. The binary magnetic nanofillers were slightly ferromagnetic. The saturation magnetization of the nanofillers depended on the powder particle size. The nanofiller obtained from powder particles in the range 50-75 {mu}m showed a saturation magnetization 36% higher than the one formed from powder particles smaller than 50 {mu}m. The phenomenon is explained in terms of changes in the magnetic environment of the particles as consequence of the presence of MWCNT.

  10. Liquid nitrogen cooling in IR thermography applied to steel specimen

    Science.gov (United States)

    Lei, L.; Ferrarini, G.; Bortolin, A.; Cadelano, G.; Bison, P.; Maldague, X.

    2017-05-01

    Pulsed Thermography (PT) is one of the most common methods in Active Thermography procedures of the Thermography for NDT & E (Nondestructive Testing & Evaluation), due to the rapidity and convenience of this inspection technique. Flashes or lamps are often used to heat the samples in the traditional PT. This paper mainly explores exactly the opposite external stimulation in IR Thermography: cooling instead of heating. A steel sample with flat-bottom holes of different depths and sizes has been tested. Liquid nitrogen (LN2) is sprinkled on the surface of the specimen and the whole process is captured by a thermal camera. To obtain a good comparison, two other classic NDT techniques, Pulsed Thermography and Lock-In Thermography, are also employed. In particular, the Lock-in method is implemented with three different frequencies. In the image processing procedure, the Principal Component Thermography (PCT) method has been performed on all thermal images. For Lock-In results, both Phase and Amplitude images are generated by Fast Fourier Transform (FFT). Results show that all techniques presented part of the defects while the LN2 technique displays the flaws only at the beginning of the test. Moreover, a binary threshold post-processing is applied to the thermal images, and by comparing these images to a binary map of the location of the defects, the corresponding Receiver Operating Characteristic (ROC) curves are established and discussed. A comparison of the results indicates that the better ROC curve is obtained using the Flash technique with PCT processing method.

  11. A simple explanation of the classic hydrostatic paradox

    Science.gov (United States)

    Kontomaris, Stylianos-Vasileios; Malamou, Anna

    2016-07-01

    An interesting problem in fluid mechanics, with significant educational importance, is the classic hydrostatic paradox. The hydrostatic paradox states the fact that in different shaped containers, with the same base area, which are filled with a liquid of the same height, the applied force by the liquid on the base of each container is exactly the same. However, if the shape of the container is different, the amount of the liquid (and as a consequence the weight) can greatly vary. In this paper, a simple explanation of the hydrostatic paradox, specifically designed and implemented for educational purposes regarding secondary education, is provided.

  12. Simple improvements to classical bubble nucleation models

    Science.gov (United States)

    Tanaka, Kyoko K.; Tanaka, Hidekazu; Angélil, Raymond; Diemand, Jürg

    2015-08-01

    We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a correct prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by Tolman, the precise evaluations of the free energy barriers suggest the Tolman length is ≃0.3 σ independently of the temperature for argon bubble nucleation, where σ is the unit length of the Lennard-Jones potential. With this Tolman correction and our prefactor one gets accurate bubble nucleation rate predictions in the parameter range probed by current experiments and molecular dynamics simulations.

  13. Time, classical and quantum

    Science.gov (United States)

    Aniello, P.; Ciaglia, F. M.; Di Cosmo, F.; Marmo, G.; Pérez-Pardo, J. M.

    2016-10-01

    We propose a new point of view regarding the problem of time in quantum mechanics, based on the idea of replacing the usual time operator T with a suitable real-valued function T on the space of physical states. The proper characterization of the function T relies on a particular relation with the dynamical evolution of the system rather than with the infinitesimal generator of the dynamics (Hamiltonian). We first consider the case of classical hamiltonian mechanics, where observables are functions on phase space and the tools of differential geometry can be applied. The idea is then extended to the case of the unitary evolution of pure states of finite-level quantum systems by means of the geometric formulation of quantum mechanics. It is found that T is a function on the space of pure states which is not associated with any self-adjoint operator. The link between T and the dynamical evolution is interpreted as defining a simultaneity relation for the states of the system with respect to the dynamical evolution itself. It turns out that different dynamical evolutions lead to different notions of simultaneity, i.e., the notion of simultaneity is a dynamical notion.

  14. Classical competing risks

    CERN Document Server

    Crowder, Martin J

    2001-01-01

    If something can fail, it can often fail in one of several ways and sometimes in more than one way at a time. There is always some cause of failure, and almost always, more than one possible cause. In one sense, then, survival analysis is a lost cause. The methods of Competing Risks have often been neglected in the survival analysis literature. Written by a leading statistician, Classical Competing Risks thoroughly examines the probability framework and statistical analysis of data of Competing Risks. The author explores both the theory of the subject and the practicalities of fitting the models to data. In a coherent, self-contained, and sequential account, the treatment moves from the bare bones of the Competing Risks setup and the associated likelihood functions through survival analysis using hazard functions. It examines discrete failure times and the difficulties of identifiability, and concludes with an introduction to the counting-process approach and the associated martingale theory.With a dearth of ...

  15. Classical Fourier analysis

    CERN Document Server

    Grafakos, Loukas

    2014-01-01

    The main goal of this text is to present the theoretical foundation of the field of Fourier analysis on Euclidean spaces. It covers classical topics such as interpolation, Fourier series, the Fourier transform, maximal functions, singular integrals, and Littlewood–Paley theory. The primary readership is intended to be graduate students in mathematics with the prerequisite including satisfactory completion of courses in real and complex variables. The coverage of topics and exposition style are designed to leave no gaps in understanding and stimulate further study. This third edition includes new Sections 3.5, 4.4, 4.5 as well as a new chapter on “Weighted Inequalities,” which has been moved from GTM 250, 2nd Edition. Appendices I and B.9 are also new to this edition.  Countless corrections and improvements have been made to the material from the second edition. Additions and improvements include: more examples and applications, new and more relevant hints for the existing exercises, new exercises, and...

  16. Grassmannization of classical models

    Science.gov (United States)

    Pollet, Lode; Kiselev, Mikhail N.; Prokof'ev, Nikolay V.; Svistunov, Boris V.

    2016-11-01

    Applying Feynman diagrammatics to non-fermionic strongly correlated models with local constraints might seem generically impossible for two separate reasons: (i) the necessity to have a Gaussian (non-interacting) limit on top of which the perturbative diagrammatic expansion is generated by Wick’s theorem, and (ii) Dyson’s collapse argument implying that the expansion in powers of coupling constant is divergent. We show that for arbitrary classical lattice models both problems can be solved/circumvented by reformulating the high-temperature expansion (more generally, any discrete representation of the model) in terms of Grassmann integrals. Discrete variables residing on either links, plaquettes, or sites of the lattice are associated with the Grassmann variables in such a way that the partition function (as well as all correlation functions) of the original system and its Grassmann-field counterpart are identical. The expansion of the latter around its Gaussian point generates Feynman diagrams. Our work paves the way for studying lattice gauge theories by treating bosonic and fermionic degrees of freedom on equal footing.

  17. Extended symmetrical classical electrodynamics.

    Science.gov (United States)

    Fedorov, A V; Kalashnikov, E G

    2008-03-01

    In this paper, we discuss a modification of classical electrodynamics in which "ordinary" point charges are absent. The modified equations contain additional terms describing the induced charges and currents. The densities of the induced charges and currents depend on the vector k and the vectors of the electromagnetic field, E and B . It is shown that the vectors E and B can be defined in terms of two four-potentials and the components of k are the components of a four-tensor of the third rank. The Lagrangian of the modified electrodynamics is defined. The conditions are derived at which only one four-potential determines the behavior of the electromagnetic field. It is also shown that static modified electrodynamics can describe the electromagnetic field in the inner region of an electric monopole. In the outer region of the electric monopole the electric field is governed by the Maxwell equations. It follows from boundary conditions at the interface between the inner and outer regions of the monopole that the vector k has a discrete spectrum. The electric and magnetic fields, energy, and angular momentum of the monopole are found for different eigenvalues of k .

  18. Classics in radio astronomy

    CERN Document Server

    Sullivan, Woodruff Turner

    1982-01-01

    Radio techniques were the nrst to lead astronomy away from the quiescent and limited Universe revealed by traditional observations at optical wave­ lengths. In the earliest days of radio astronomy, a handful of radio physicists and engineers made one startling discovery after another as they opened up the radio sky. With this collection of classic papers and the extensive intro­ ductory material, the reader can experience these exciting discoveries, as well as understand the developing techniques and follow the motivations which prompted the various lines of inquiry. For instance he or she will follow in detail the several attempts to detect radio waves from the sun at the turn of the century; the unravelling by Jansky of a "steady hiss type static"; the incredible story of Reber who built a 9 meter dish in his backyard in 1937 and then mapped the Milky Way; the vital discoveries by Hey and colleagues of radio bursts from the Sun and of a discrete source in the constellation of Cygnus; the development of re...

  19. Evolution of Binaries in Dense Stellar Systems

    CERN Document Server

    Ivanova, Natalia

    2011-01-01

    In contrast to the field, the binaries in dense stellar systems are frequently not primordial, and could be either dynamically formed or significantly altered from their primordial states. Destruction and formation of binaries occur in parallel all the time. The destruction, which constantly removes soft binaries from a binary pool, works as an energy sink and could be a reason for cluster entering the binary-burning phase. The true binary fraction is greater than observed, as a result, the observable binary fraction evolves differently from the predictions. Combined measurements of binary fractions in globular clusters suggest that most of the clusters are still core-contracting. The formation, on other hand, affects most the more evolutionary advanced stars, which significantly enhances the population of X-ray sources in globular clusters. The formation of binaries with a compact objects proceeds mainly through physical collisions, binary-binary and single-binary encounters; however, it is the dynamical for...

  20. Relativistic Binaries in Globular Clusters

    Directory of Open Access Journals (Sweden)

    Benacquista Matthew J.

    2006-02-01

    Full Text Available The galactic population of globular clusters are old, dense star systems, with a typical cluster containing 10^4 - 10^7 stars. As an old population of stars, globular clusters contain many collapsed and degenerate objects. As a dense population of stars, globular clusters are the scene of many interesting close dynamical interactions between stars. These dynamical interactions can alter the evolution of individual stars and can produce tight binary systems containing one or two compact objects. In this review, we discuss the theoretical models of globular cluster evolution and binary evolution, techniques for simulating this evolution which lead to relativistic binaries, and current and possible future observational evidence for this population. Globular cluster evolution will focus on the properties that boost the production of hard binary systems and on the tidal interactions of the galaxy with the cluster, which tend to alter the structure of the globular cluster with time. The interaction of the components of hard binary systems alters the evolution of both bodies and can lead to exotic objects. Direct N-body integrations and Fokker-Planck simulations of the evolution of globular clusters that incorporate tidal interactions and lead to predictions of relativistic binary populations are also discussed. We discuss the current observational evidence for cataclysmic variables, millisecond pulsars, and low-mass X-ray binaries as well as possible future detection of relativistic binaries with gravitational radiation.

  1. Relativistic Binaries in Globular Clusters

    Directory of Open Access Journals (Sweden)

    Benacquista Matthew

    2002-01-01

    Full Text Available The galactic population of globular clusters are old, dense star systems, with a typical cluster containing $10^4 - 10^6$ stars. As an old population of stars, globular clusters contain many collapsed and degenerate objects. As a dense population of stars, globular clusters are the scene of many interesting close dynamical interactions between stars. These dynamical interactions can alter the evolution of individual stars and can produce tight binary systems containing one or two compact objects. In this review, we discuss the theoretical models of globular cluster evolution and binary evolution, techniques for simulating this evolution which lead to relativistic binaries, and current and possible future observational evidence for this population. Globular cluster evolution will focus on the properties that boost the production of hard binary systems and on the tidal interactions of the galaxy with the cluster, which tend to alter the structure of the globular cluster with time. The interaction of the components of hard binary systems alters the evolution of both bodies and can lead to exotic objects. Direct $N$-body integrations and Fokker--Planck simulations of the evolution of globular clusters that incorporate tidal interactions and lead to predictions of relativistic binary populations are also discussed. We discuss the current observational evidence for cataclysmic variables, millisecond pulsars, and low-mass X-ray binaries as well as possible future detection of relativistic binaries with gravitational radiation.

  2. PERIODIC COMPLEMENTARY BINARY SEQUENCE PAIRS

    Institute of Scientific and Technical Information of China (English)

    XuChengqian; ZhaoXiaoqun

    2002-01-01

    A new set of binary sequences-Periodic Complementary Binary Sequence Pair (PCSP)is proposed .A new class of block design-Difference Family Pair (DFP)is also proposed .The relationship between PCSP and DFP,the properties and exising conditions of PCSP and the recursive constructions for PCSP are given.

  3. PERIODIC COMPLEMENTARY BINARY SEQUENCE PAIRS

    Institute of Scientific and Technical Information of China (English)

    Xu Chengqian; Zhao Xiaoqun

    2002-01-01

    A new set of binary sequences-Periodic Complementary Binary Sequence Pair (PCSP) is proposed. A new class of block design-Difference Family Pair (DFP) is also proposed.The relationship between PCSP and DFP, the properties and existing conditions of PCSP and the recursive constructions for PCSP are given.

  4. Relativistic Binaries in Globular Clusters

    Directory of Open Access Journals (Sweden)

    Matthew J. Benacquista

    2013-03-01

    Full Text Available Galactic globular clusters are old, dense star systems typically containing 10^4 – 10^6 stars. As an old population of stars, globular clusters contain many collapsed and degenerate objects. As a dense population of stars, globular clusters are the scene of many interesting close dynamical interactions between stars. These dynamical interactions can alter the evolution of individual stars and can produce tight binary systems containing one or two compact objects. In this review, we discuss theoretical models of globular cluster evolution and binary evolution, techniques for simulating this evolution that leads to relativistic binaries, and current and possible future observational evidence for this population. Our discussion of globular cluster evolution will focus on the processes that boost the production of tight binary systems and the subsequent interaction of these binaries that can alter the properties of both bodies and can lead to exotic objects. Direct N-body integrations and Fokker–Planck simulations of the evolution of globular clusters that incorporate tidal interactions and lead to predictions of relativistic binary populations are also discussed. We discuss the current observational evidence for cataclysmic variables, millisecond pulsars, and low-mass X-ray binaries as well as possible future detection of relativistic binaries with gravitational radiation.

  5. Spin Correlation in Binary Systems

    CERN Document Server

    Farbiash, N; Farbiash, Netzach; Steinitz, Raphael

    2004-01-01

    We examine the correlation of projected rotational velocities in binary systems. It is an extension of previous work (Steinitz and Pyper, 1970; Levato, 1974). An enlarged data basis and new tests enable us to conclude that there is indeed correlation between the projected rotational velocities of components of binaries. In fact we suggest that spins are already correlated.

  6. Evolutionary Memory in Binary Systems?

    CERN Document Server

    Steinitz, N F R

    2004-01-01

    Correlation between the spins (rotational velocities) in binaries has previously been established. We now continue and show that the degree of spin correlation is independent of the components' separation. Such a result might be related for example to Zhang's non-linear model for the formation of binary stars from a nebula.

  7. Critical Phenomena in Liquid-Liquid Mixtures

    Science.gov (United States)

    Jacobs, D. T.

    2000-04-01

    Critical phenomena provide intriguing and essential insight into many issues in condensed matter physics because of the many length scales involved. Large density or concentration fluctuations near a system's critical point effectively mask the identity of the system and produce universal phenomena that have been well studied in simple liquid-vapor and liquid-liquid systems. Such systems have provided useful model systems to test theoretical predictions which can then be extended to more complicated systems. Along various thermodynamic paths, several quantities exhibit a simple power-law dependence close to the critical point. The critical exponents describing these relationships are universal and should depend only on a universality class determined by the order-parameter and spatial dimensionality of the system. Liquid gas, binary fluid mixtures, uniaxial ferromagnetism, polymer-solvent, and protein solutions all belong to the same (Ising model) universality class. The diversity of critical systems that can be described by universal relations indicates that experimental measurements on one system should yield the same information as on another. Our experimental investigations have tested existing theory and also extended universal behavior into new areas. By measuring the coexistence curve, heat capacity, thermal expansion and static light scattering (turbidity) in various liquid-liquid and polymer-solvent systems, we have determined critical exponents and amplitudes that have sometimes confirmed and other times challenged current theory. Recent experiments investigating the heat capacity and light scattering in a liquid-liquid mixture very close to the critical point will be discussed. This research is currently supported by The Petroleum Research Fund and by NASA grant NAG8-1433 with some student support from NSF-DMR 9619406.

  8. Observing binary inspiral with LIGO

    CERN Document Server

    Finn, L S

    1994-01-01

    Gravitational radiation from a binary neutron star or black hole system leads to orbital decay and the eventual coalescence of the binary's components. During the last several minutes before the binary components coalesce, the radiation will enter the bandwidth of the United States Laser Inteferometer Gravitational-wave Observatory (LIGO) and the French/Italian VIRGO gravitational radiation detector. The combination of detector sensitivity, signal strength, and source density and distribution all point to binary inspiral as the most likely candidate for observation among all the anticipated sources of gravitational radiation for LIGO/VIRGO. Here I review briefly some of the questions that are posed to theorists by the impending observation of binary inspiral.

  9. Signature Visualization of Software Binaries

    Energy Technology Data Exchange (ETDEWEB)

    Panas, T

    2008-07-01

    In this paper we present work on the visualization of software binaries. In particular, we utilize ROSE, an open source compiler infrastructure, to pre-process software binaries, and we apply a landscape metaphor to visualize the signature of each binary (malware). We define the signature of a binary as a metric-based layout of the functions contained in the binary. In our initial experiment, we visualize the signatures of a series of computer worms that all originate from the same line. These visualizations are useful for a number of reasons. First, the images reveal how the archetype has evolved over a series of versions of one worm. Second, one can see the distinct changes between version. This allows the viewer to form conclusions about the development cycle of a particular worm.

  10. Pairing mechanisms for binary stars

    CERN Document Server

    Kouwenhoven, M B N; Goodwin, S P; Zwart, S F Portegies; Kaper, L; 10.1002/asna.200811061

    2008-01-01

    Knowledge of the binary population in stellar groupings provides important information about the outcome of the star forming process in different environments. Binarity is also a key ingredient in stellar population studies and is a prerequisite to calibrate the binary evolution channels. In these proceedings we present an overview of several commonly used methods to pair individual stars into binary systems, which we refer to as the pairing function. Many pairing functions are frequently used by observers and computational astronomers, either for the mathematical convenience, or because they roughly describe the expected outcome of the star forming process. We discuss the consequences of each pairing function for the interpretation of observations and numerical simulations. The binary fraction and mass ratio distribution generally depend strongly on the selection of the range in primary spectral type in a sample. These quantities, when derived from a binary survey with a mass-limited sample of target stars, ...

  11. Magnetic activity of interacting binaries

    Science.gov (United States)

    Hill, Colin A.

    2017-10-01

    Interacting binaries provide unique parameter regimes, both rapid rotation and tidal distortion, in which to test stellar dynamo theories and study the resulting magnetic activity. Close binaries such as cataclysmic variables (CVs) have been found to differentially rotate, and so can provide testbeds for tidal dissipation efficiency in stellar convective envelopes, with implications for both CV and planet-star evolution. Furthermore, CVs show evidence of preferential emergence of magnetic flux tubes towards the companion star, as well as large, long-lived prominences that form preferentially within the binary geometry. Moreover, RS CVn binaries also show clear magnetic interactions between the two components in the form of coronal X-ray emission. Here, we review several examples of magnetic interactions in different types of close binaries.

  12. Nonlinear equations on controlling interface patterns during solidification of a dilute binary alloy

    Institute of Scientific and Technical Information of China (English)

    王自东; 周永利; 常国威; 胡汉起

    1999-01-01

    In nonequilibrium nonlinear region, by assuming that there is local equilibrium at the solid/liquid interface, and considering that curvature, temperature and composition at the solid/liquid interface which are related to perturbation amplitude are nonlinear, nonlinear equations of the time dependence of the perturbation amplitude of the solid/liquid interface during solidification of a dilute binary alloy are established. Crystal growth from nonsteady state to steady state can be controlled by these nonlinear equations.

  13. The classic: Bone morphogenetic protein.

    Science.gov (United States)

    Urist, Marshall R; Strates, Basil S

    2009-12-01

    This Classic Article is a reprint of the original work by Marshall R. Urist and Basil S. Strates, Bone Morphogenetic Protein. An accompanying biographical sketch of Marshall R. Urist, MD is available at DOI 10.1007/s11999-009-1067-4; a second Classic Article is available at DOI 10.1007/s11999-009-1069-2; and a third Classic Article is available at DOI 10.1007/s11999-009-1070-9. The Classic Article is copyright 1971 by Sage Publications Inc. Journals and is reprinted with permission from Urist MR, Strates BS. Bone morphogenetic protein. J Dent Res. 1971;50:1392-1406.

  14. On the dynamics of classicalization

    Energy Technology Data Exchange (ETDEWEB)

    Brouzakis, N. [Department of Physics, University of Athens, University Campus, Zographou 15784 (Greece); Rizos, J., E-mail: irizos@uoi.gr [Theory Division, Department of Physics, University of Ioannina, Ioannina 45110 (Greece); Tetradis, N., E-mail: ntetrad@phys.uoa.gr [Department of Physics, University of Athens, University Campus, Zographou 15784 (Greece)

    2012-02-14

    We discuss the mechanism through which classicalization may occur during the collapse of a spherical field configuration modeled as a wavepacket. We demonstrate that the phenomenon is associated with the dynamical change of the equation of motion from a second-order partial differential equation of hyperbolic to one of elliptic type. Within this approach, we rederive the known expression for the classicalization radius. We also find indications that classicalization is associated with the absence of wave propagation at distances below the classicalization radius and the generation of shock waves. The full quantitative picture can be obtained only through the numerical integration of a partial differential equation of mixed type.

  15. Classical morphology of plants as an elementary instance of classical invariant theory.

    Directory of Open Access Journals (Sweden)

    Evgeny V Mavrodiev

    Full Text Available It has long been known that structural chemistry shows an intriguing correspondence with Classical Invariant Theory (CIT. Under this view, an algebraic binary form of the degree n corresponds to a chemical atom with valence n and each physical molecule or ion has an invariant-theoretic counterpart. This theory was developed using the Aronhold symbolical approach and the symbolical processes of convolution/transvection in CIT was characterized as a potential "accurate morphological method". However, CIT has not been applied to the formal morphology of living organisms. Based on the morphological interpretation of binary form, as well as the process of convolution/transvection, the First and Second Fundamental Theorems of CIT and the Nullforms of CIT, we show how CIT can be applied to the structure of plants, especially when conceptualized as a series of plant metamers (phytomers. We also show that the weight of the covariant/invariant that describes a morphological structure is a criterion of simplicity and, therefore, we argue that this allows us to formulate a parsimonious method of formal morphology. We demonstrate that the "theory of axilar bud" is the simplest treatment of the grass seedling/embryo. Our interpretations also represent Troll's bauplan of the angiosperms, the principle of variable proportions, morphological misfits, the basic types of stem segmentation, and Goethe's principle of metamorphosis in terms of CIT. Binary forms of different degrees might describe any repeated module of plant organisms. As bacteria, invertebrates, and higher vertebrates are all generally shared a metameric morphology, wider implications of the proposed symmetry between CIT and formal morphology of plants are apparent.

  16. Multiphase Binary Mixture Flows in Porous Media in a Wide Pressure and Temperature Range Including Critical Conditions

    Science.gov (United States)

    Afanasyev, A.

    2011-12-01

    Multiphase flows in porous media with a transition between sub- and supercritical thermodynamic conditions occur in many natural and technological processes (e.g. in deep regions of geothermal reservoirs where temperature reaches critical point of water or in gas-condensate fields where subject to critical conditions retrograde condensation occurs and even in underground carbon dioxide sequestration processes at high formation pressure). Simulation of these processes is complicated due to degeneration of conservation laws under critical conditions and requires non-classical mathematical models and methods. A new mathematical model is proposed for efficient simulation of binary mixture flows in a wide range of pressures and temperatures that includes critical conditions. The distinctive feature of the model lies in the methodology for mixture properties determination. Transport equations and Darcy law are solved together with calculation of the entropy maximum that is reached in thermodynamic equilibrium and determines mixture composition. To define and solve the problem only one function - mixture thermodynamic potential - is required. Such approach allows determination not only single-phase states and two-phase states of liquid-gas type as in classical models but also two-phase states of liquid-liquid type and three-phase states. The proposed mixture model was implemented in MUFITS (Multiphase Filtration Transport Simulator) code for hydrodynamic simulations. As opposed to classical approaches pressure, enthalpy and composition variables together with fully implicit method and cascade procedure are used. The code is capable of unstructured grids, heterogeneous porous media, relative permeability and capillary pressure dependence on temperature and pressure, multiphase diffusion, optional number of sink and sources, etc. There is an additional module for mixture properties specification. The starting point for the simulation is a cubic equation of state that is

  17. Innovation: the classic traps.

    Science.gov (United States)

    Kanter, Rosabeth Moss

    2006-11-01

    Never a fad, but always in or out of fashion, innovation gets rediscovered as a growth enabler every half dozen years. Too often, though, grand declarations about innovation are followed by mediocre execution that produces anemic results, and innovation groups are quietly disbanded in cost-cutting drives. Each managerial generation embarks on the same enthusiastic quest for the next new thing. And each generation faces the same vexing challenges- most of which stem from the tensions between protecting existing revenue streams critical to current success and supporting new concepts that may be crucial to future success. In this article, Harvard Business School professor Rosabeth Moss Kanter reflects on the four major waves of innovation enthusiasm she's observed over the past 25 years. She describes the classic mistakes companies make in innovation strategy, process, structure, and skills assessment, illustrating her points with a plethora of real-world examples--including AT&T Worldnet, Timberland, and Ocean Spray. A typical strategic blunder is when managers set their hurdles too high or limit the scope of their innovation efforts. Quaker Oats, for instance, was so busy in the 1990s making minor tweaks to its product formulas that it missed larger opportunities in distribution. A common process mistake is when managers strangle innovation efforts with the same rigid planning, budgeting, and reviewing approaches they use in their existing businesses--thereby discouraging people from adapting as circumstances warrant. Companies must be careful how they structure fledgling entities alongside existing ones, Kanter says, to avoid a clash of cultures and agendas--which Arrow Electronics experienced in its attempts to create an online venture. Finally, companies commonly undervalue and underinvest in the human side of innovation--for instance, promoting individuals out of innovation teams long before their efforts can pay off. Kanter offers practical advice for avoiding

  18. Eccentric Binary Millisecond Pulsars

    CERN Document Server

    Freire, Paulo C C

    2009-01-01

    In this paper we review the recent discovery of several millisecond pulsars (MSPs) in eccentric binary systems. Timing these MSPs we were able to estimate (and in one case precisely measure) their masses. These results suggest that, as a class, MSPs have a much wider range of masses (1.3 to > 2 solar masses) than the normal and mildly recycled pulsars found in double neutron star (DNS) systems (1.25 < Mp < 1.44 solar masses). This is very likely to be due to the prolonged accretion episode that is thought to be required to form a MSP. The likely existence of massive MSPs makes them a powerful probe for understanding the behavior of matter at densities larger than that of the atomic nucleus; in particular, the precise measurement of the mass of PSR J1903+0327 ($1.67 +/- 0.01 solar masses) excludes several "soft" equations of state for dense matter.

  19. Towards Physarum binary adders.

    Science.gov (United States)

    Jones, Jeff; Adamatzky, Andrew

    2010-07-01

    Plasmodium of Physarum polycephalum is a single cell visible by unaided eye. The plasmodium's foraging behaviour is interpreted in terms of computation. Input data is a configuration of nutrients, result of computation is a network of plasmodium's cytoplasmic tubes spanning sources of nutrients. Tsuda et al. (2004) experimentally demonstrated that basic logical gates can be implemented in foraging behaviour of the plasmodium. We simplify the original designs of the gates and show - in computer models - that the plasmodium is capable for computation of two-input two-output gate x, y-->xy, x+y and three-input two-output x,y,z-->x yz,x+y+z. We assemble the gates in a binary one-bit adder and demonstrate validity of the design using computer simulation.

  20. Towards Physarum Binary Adders

    CERN Document Server

    Jones, Jeff; 10.1016/j.biosystems.2010.04.005

    2010-01-01

    Plasmodium of \\emph{Physarum polycephalum} is a single cell visible by unaided eye. The plasmodium's foraging behaviour is interpreted in terms of computation. Input data is a configuration of nutrients, result of computation is a network of plasmodium's cytoplasmic tubes spanning sources of nutrients. Tsuda et al (2004) experimentally demonstrated that basic logical gates can be implemented in foraging behaviour of the plasmodium. We simplify the original designs of the gates and show --- in computer models --- that the plasmodium is capable for computation of two-input two-output gate $ \\to $ and three-input two-output $ \\to $. We assemble the gates in a binary one-bit adder and demonstrate validity of the design using computer simulation.

  1. Liquid-liquid equilibria for glycols plus hydrocarbons: Data and correlation

    DEFF Research Database (Denmark)

    Derawi, Samer; Kontogeorgis, Georgios; Stenby, Erling Halfdan;

    2002-01-01

    Liquid-liquid equilibrium data for seven binary glycol-hydrocarbon systems have been measured in the temperature range 32 degreesC to 80 degreesC and at the pressure 1 bar. The measured systems are monoethylene glycol (MEG) + heptane, methyleyclohexane (MCH) + hexane, propylene glycol (PG...

  2. The Diversity of Classical Archaeology

    DEFF Research Database (Denmark)

    This book is the first volume in the series Studies in Classical Archaeology, founded and edited by professors of classical archaeology, Achim Lichtenberger and Rubina Raja. This volume sets out the agenda for this series. It achieves this by familiarizing readers with a wide range of themes and ...

  3. Classic African American Children's Literature

    Science.gov (United States)

    McNair, Jonda C.

    2010-01-01

    The purpose of this article is to assert that there are classic African American children's books and to identify a sampling of them. The author presents multiple definitions of the term classic based on the responses of children's literature experts and relevant scholarship. Next, the manner in which data were collected and analyzed in regard to…

  4. Classic writings on instructional technology

    NARCIS (Netherlands)

    Ely, D.P.; Ely, Donald P.; Plomp, T.

    1996-01-01

    This paper describes the selection process of 17 articles for inclusion in the book, "Classic Writings on Instructional Technology." The book brings together original "classic" educational technology articles into one volume to document the history of the field through its literature. It is also an

  5. Teaching and Demonstrating Classical Conditioning.

    Science.gov (United States)

    Sparrow, John; Fernald, Peter

    1989-01-01

    Discusses classroom demonstrations of classical conditioning and notes tendencies to misrepresent Pavlov's procedures. Describes the design and construction of the conditioner that is used for demonstrating classical conditioning. Relates how students experience conditioning, generalization, extinction, discrimination, and spontaneous recovery.…

  6. Classical Music Fan Chen Li

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The heyday of Beijing’s classical music beganin 1993, when top-quality sound equipment andrecords were imported. Also in that year, BeijingMusic Radio presented a classical music programtitled "Fan’s Club" and founded the "Music and

  7. Operator Formulation of Classical Mechanics.

    Science.gov (United States)

    Cohn, Jack

    1980-01-01

    Discusses the construction of an operator formulation of classical mechanics which is directly concerned with wave packets in configuration space and is more similar to that of convential quantum theory than other extant operator formulations of classical mechanics. (Author/HM)

  8. Dynamical Symmetries in Classical Mechanics

    Science.gov (United States)

    Boozer, A. D.

    2012-01-01

    We show how symmetries of a classical dynamical system can be described in terms of operators that act on the state space for the system. We illustrate our results by considering a number of possible symmetries that a classical dynamical system might have, and for each symmetry we give examples of dynamical systems that do and do not possess that…

  9. COMPETITION: CLASSICAL VERSUS NEOCLASSICAL VIEW

    OpenAIRE

    Mihaela Cornelia Sandu

    2013-01-01

    Competition is an important element from economical theory. Over time it has experienced several definitions and classifications much of them being contradictory. In this paper I will make a parallel between classical and neoclassical point of view according to competition. Keywords. Competition; neoclassical theory; classical theory; monopolistic; perfect competition.

  10. Classic writings on instructional technology

    NARCIS (Netherlands)

    Ely, Donald P.; Plomp, Tjeerd

    1996-01-01

    This paper describes the selection process of 17 articles for inclusion in the book, "Classic Writings on Instructional Technology." The book brings together original "classic" educational technology articles into one volume to document the history of the field through its literature. It is also an

  11. Enantiomeric 3-chloromandelic acid system: binary melting point phase diagram, ternary solubility phase diagrams and polymorphism.

    Science.gov (United States)

    Le Minh, Tam; von Langermann, Jan; Lorenz, Heike; Seidel-Morgenstern, Andreas

    2010-09-01

    A systematic study of binary melting point and ternary solubility phase diagrams of the enantiomeric 3-chloromandelic acid (3-ClMA) system was performed under consideration of polymorphism. The melting point phase diagram was measured by means of thermal analysis, that is, using heat-flux differential scanning calorimetry (DSC). The results reveal that 3-ClMA belongs to the racemic compound-forming systems. Polymorphism was found for both the enantiomer and the racemate as confirmed by X-ray powder diffraction analysis. The ternary solubility phase diagram of 3-ClMA in water was determined between 5 and 50 degrees C by the classical isothermal technique. The solubilities of the pure enantiomers are extremely temperature-dependent. The solid-liquid equilibria of racemic 3-ClMA are not trivial due to the existence of polymorphism. The eutectic composition in the chiral system changes as a function of temperature. Further, solubility data in the alternative solvent toluene are also presented.

  12. Force-Field Based Quasi-Chemical Method for Rapid Evaluation of Binary Phase Diagrams.

    Science.gov (United States)

    Sweere, Augustinus J M; Fraaije, Johannes G E M

    2015-11-05

    We present the Pair Configurations to Molecular Activity Coefficients (PAC-MAC) method. The method is based on the pair sampling technique of Blanco (Fan, C. F.; Olafson, B. D.; Blanco, M.; Hsu, S. L. Application of Molecular Simulation to Derive Phase Diagrams of Binary Mixtures. Macromolecules 1992, 25, 3667-3676) with an extension that takes the packing of the molecules into account by a free energy model. The intermolecular energy is calculated using classical force fields. PAC-MAC is able to predict activity coefficients and corresponding vapor-liquid equilibrium diagrams at least 4 orders of magnitude faster than molecular simulations. The accuracy of the PAC-MAC method is tested by comparing the results with experimental data and with the results of the COSMO-SAC model (Lin, S.-T.; Sandler, S. I. A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model. Ind. Eng. Chem. Res. 2002, 41, 899-913). PAC-MAC (using the OPLS-aa force field) is shown to be comparable in accuracy to COSMO-SAC, at the considerable advantage that PAC-MAC in principle does not require quantum calculation, provided proper force fields to be available.

  13. A possible mechanism to explain the lack of binary asteroids among the Plutinos

    Science.gov (United States)

    Compère, A.; Farrelly, D.; Lemaître, A.; Hestroffer, D.

    2013-10-01

    Context. Binary asteroids are common in the solar system, including in the Kuiper belt. However, there seems to be a marked disparity between the binary populations in the classical part of the Kuiper belt and the part of the belt in the 3:2 resonance with Neptune - i.e., the region inhabited by the Plutinos. In particular, binary Plutinos are extremely rare. Aims: We study the impact of the 3:2 resonance on the formation of Kuiper belt binaries, according to the Nice model, in order to explain such phenomenon. Methods: Numerical simulations are performed within the 2 + 2 body approximation (Sun/Neptune + binary partners). The MEGNO chaos indicator is used to map out regular and chaotic regions of phase space. Residence times of test (binary) particles within the Hill sphere are compared inside and outside of the 3:2 resonance. The effect of increasing the heliocentric eccentricity of the centre of mass of the binary system is studied. This is done because mean-motion resonances between a planet and an asteroid usually have the effect of increasing the eccentricity of the asteroid. Results: The stable zones in the MEGNO maps are mainly disrupted in the resonant, eccentric case: the number of binary asteroids created in this case is significantly lower than outside the 3:2 resonance. Conclusions: In the 2 + 2 body approximation, the pumping of the eccentricity of the centre of mass of a potential binary destabilises the formation of binaries. This may be a factor in explaining the scarcity of binaries in the Plutino population.

  14. Thermodynamic parameters of the first order in low-concentration binary alloys

    Science.gov (United States)

    Bol'shov, L. A.; Korneichuk, S. K.

    2015-12-01

    Thermodynamic parameters of the first order (Wagner interaction parameter ɛ 2 (2) , enthalpy, and entropy parameter σ 2 (2) ) in low-concentration liquid binary alloys are considered. The values of these parameters for 32 binary systems are estimated from experimental data. A system of classification is proposed for the obtained data. These data are compared to similar data for aqueous solutions of nonelectrolytes. A qualitative explanation of the obtained differences is given.

  15. Dynamical Evolution of Wide Binaries

    Directory of Open Access Journals (Sweden)

    Esmeralda H. Mallada

    2001-01-01

    Full Text Available We simulate numerically encounters of wide binaries with field stars and Giant Molecular Clouds (GMCs by means of the impulse approximation. We analyze the time evolution of the distributions of eccentricities and semimajor axes of wide binaries with given initial conditions, at intervals of 109 yr, up to 1010 yr (assumed age of the Galaxy. We compute the fraction of surviving binaries for stellar encounters, for GMC encounters and for a combination of both, and hence, the dynamical lifetime for different semimajor axes and different masses of binaries (0.5, 1, 1.2, 1.5, 2.5, and 3 Msolar. We find that the dynamical lifetime of wide binaries considering only GMCs is half than that considering only stars. For encounters with GMCs we analyze the influence of the initial inclination of the orbital plane of the binary with respect to the plane perpendicular to the relative velocity vector of the binary and the GMC. We find that the perturbation is maximum when the angle is minimum.

  16. Study on the Vapor-Liquid Equilibrium for Cyclohexene-Cyclohexanone Binary System under Normal Atmospheric Pressure%常压下环己烯-环己酮二元体系汽液平衡研究

    Institute of Scientific and Technical Information of China (English)

    王训遒; 庄新亮; 陈静波; 蒋登高

    2011-01-01

    During the process of producing epoxycyclohexane by oxidizing cyclohexene with hydrogen peroxide, many byproducts including cyclohexanone, cyclohexanol and etc. were formed. In order to obtain high purity epoxycyclohexane, the byproducts must be removed via rectification, and the rectification process needs the vapor-liquid equilibrium (VLE) data of the relative system. In this study, the VLE data of cyclohexene-cyclohexanone system were determined under normal atmospheric pressure by using an improved Rose vapor-liquid equilibrium still, and the thermodynamic consistencies of the obtained data were examined.The results show that the experimental data satisfy the examination of the thermodynamic consistencies. Then the VLE data obtained were correlated by Wilson equation, and the model parameters of the equation were determined by using the error sum squares of vapor phase composition as the target function. The comparison of the experimental VLE data with those calculated by Wilson model shows that the deviations are little, which indicates that the model is suitable to be used for the engineering separation design.%H2O2氧化环己烯合成环氧环己烷有很多副产物生成,如环己酮、环己醇等,为了获得较纯的环氧环己烷需采用精馏提纯的方法将副产物分离出来.而精馏提纯需要相关体系的汽液平衡数据,为此用改进的Rose汽液平衡釜测定常压下环己烯-环己酮二元体系汽液平衡数据,并对数据进行热力学一致性检验,结果表明实验数据符合热力学一致性.以汽相组成的误差平方和作为目标函数,用Wilson方程关联实验数据,得到Wilson方程的配偶参数,并对汽液平衡计算值与实验值进行比较,发现二者偏差较小,可以满足工程上分离设计的需要.

  17. A generalized theory of chromatography and multistep liquid extraction

    Science.gov (United States)

    Chizhkov, V. P.; Boitsov, V. N.

    2017-03-01

    A generalized theory of chromatography and multistep liquid extraction is developed. The principles of highly efficient processes for fine preparative separation of binary mixture components on a fixed sorbent layer are discussed.

  18. Classical dynamics a modern perspective

    CERN Document Server

    Sudarshan, Ennackal Chandy George

    2016-01-01

    Classical dynamics is traditionally treated as an early stage in the development of physics, a stage that has long been superseded by more ambitious theories. Here, in this book, classical dynamics is treated as a subject on its own as well as a research frontier. Incorporating insights gained over the past several decades, the essential principles of classical dynamics are presented, while demonstrating that a number of key results originally considered only in the context of quantum theory and particle physics, have their foundations in classical dynamics.Graduate students in physics and practicing physicists will welcome the present approach to classical dynamics that encompasses systems of particles, free and interacting fields, and coupled systems. Lie groups and Lie algebras are incorporated at a basic level and are used in describing space-time symmetry groups. There is an extensive discussion on constrained systems, Dirac brackets and their geometrical interpretation. The Lie-algebraic description of ...

  19. Classical approach in quantum physics

    CERN Document Server

    Solov'ev, Evgeni A

    2010-01-01

    The application of a classical approach to various quantum problems - the secular perturbation approach to quantization of a hydrogen atom in external fields and a helium atom, the adiabatic switching method for calculation of a semiclassical spectrum of hydrogen atom in crossed electric and magnetic fields, a spontaneous decay of excited states of a hydrogen atom, Gutzwiller's approach to Stark problem, long-lived excited states of a helium atom recently discovered with the help of Poincar$\\acute{\\mathrm{e}}$ section, inelastic transitions in slow and fast electron-atom and ion-atom collisions - is reviewed. Further, a classical representation in quantum theory is discussed. In this representation the quantum states are treating as an ensemble of classical states. This approach opens the way to an accurate description of the initial and final states in classical trajectory Monte Carlo (CTMC) method and a purely classical explanation of tunneling phenomenon. The general aspects of the structure of the semicla...

  20. Better-than-classical circuits for OR and AND/OR found using genetic programming

    CERN Document Server

    Barnum, H N; Spector, L; Barnum, Howard; Bernstein, Herbert J.; Spector, Lee

    1999-01-01

    We present a quantum circuit evolved using genetic programming. From it we derive the first better-than-classical one-query bounded-error circuit for OR of one-bit black-box functions. The larger evolved circuit calculates, with error probability lower than any possible classical one-query algorithm, the property defined by a depth-two binary AND/OR tree with the four possible function input values as leaves. We analyze it as a kind of recursive application of the OR circuit. Since the OR and AND/OR trees have fan-in 2, these circuits may be useful in investigating the uniform binary AND/OR tree in the large-N asymptotic regime, a problem whose classical query complexity is completely understood and which has applications in game tree evaluation, logic programming, theorem-proving, and many other areas.