Showing papers in "Fluid Phase Equilibria in 2000"

TL;DR: In this article, a novel and very efficient method for the a priori prediction of thermophysical data of liquids is presented based on unimolecular quantum chemical calculations that provide the necessary information for the evaluation of molecular interactions in liquids.

TL;DR: In this article, an equation of state for square-well chain fluids is developed applying the second-order perturbation theory of Barker and Henderson to a hard-chain reference fluid.

TL;DR: In this article, a new theory for viscosity modeling based on friction concepts of classical mechanics and the Van der Waals theory of fluids is presented, which is the fundamental difference between this theory and other available theories is the fact that the visco-ness of dense fluids, which characterizes pure shear flow, is approached as a mechanical, rather than as a transport, property.

TL;DR: In this article, a binary mixture of 1-alkanols with primary or secondary linear amines has been characterized in the framework of DISQUAC, which represents fairly well the thermodynamic properties examined, which are critically evaluated: vapor-liquid equilibria (VLE), molar excess Gibbs energies (GE), andmolar excess enthalpies (HE).

TL;DR: In this paper, NpT-MC simulations were applied to describe the vapor-liquid equilibrium of water (between 323 and 573 K), carbon dioxide (between 230 and 290 K) and their binary mixtures (between 348 and 393 K).

TL;DR: In this article, the applicability of the lattice fluid equation of state was investigated for the unified description of various phase equilibria with Langmuir constants in the Van der Waals and Platteeuw model for hydrates and hydrogen bonding free energy of water fitted to data.

TL;DR: In this paper, the Cahn-Hilliard theory was combined with three equations of state (EOS) (the Peng-Robinson (PR), the Sanchez-Lacombe (SL) lattice fluid model, and the original Statistical Associating Fluid Model) in order to describe both the phase behaviour and the surface properties of different types of molecules, namely nonpolar substances (n-alkanes and aromatic compounds), alcohols and water.

TL;DR: In this paper, the authors measured liquid-liquid equilibrium (LLE) data at 298.15 K and atmospheric pressure for six ternary systems: n- hexane + benzene + sulfolane,n-hexane + toluene+ sulfolsolane,n- octane + xylene+ sulfolanes,n -hexane+ benzene+ toluenes+ sulfosolane.

TL;DR: In this article, Schmidt et al. presented an extended scaled equation to represent the surface tension of these substances: σ=kT c N A V c 2/3 (4.35+4.14ω)t 1.26 (1+0.19t 0.5 −0.25t) where t1−T/Tc is reduced temperature, k, NA, Vc, and ω are the Boltzmann constant, Avogadro number, the critical volume and the acentric factor.

TL;DR: In this article, the authors extended the Wilson model for non-electrolytes to model the activity coefficients of electrolytes in aqueous solutions and derived a new expression based on the local composition concept to account for the contribution of the short-range excess Gibbs energy.

TL;DR: In this article, the effect of cyclic organic components (THP, CB, and methylcyclohexane) on the van der Waals-Platteeuw model was investigated.

TL;DR: In this paper, a new apparatus is presented to measure low partial vapor pressures of acid gas, and measurements are given for carbon dioxide and hydrogen sulfide into aqueous solutions of methyldiethanolamine (MDEA).

TL;DR: The application range of the predictive Soave-Redlich-Kwong (PSRK) group contribution equation of state (EOS) for the prediction of vapor-liquid equilibria and gas solubilities was extended by the introduction of additional structural groups (epoxides, HF, HI, COS) and fitting of 98 pairs of group interaction parameters to experimental phase equilibrium data as mentioned in this paper.

TL;DR: In this article, the a-lactose solubility in water-ethanol solvent mixtures was obtained using an accurate analytical method, at 25, 40 and 60C in a concentration range from 0 to 100 sugar-free wt.% of water.

TL;DR: In this paper, a new surface tension equation based on the thermodynamic definition of surface tension and the expression of Gibbs free energy is proposed, which is different from existing ones with respect to theoretical background and formulation.

TL;DR: In this article, a technique that is based on interval analysis is proposed to solve the nonlinear parameter estimation problem with complete reliability, and provides a mathematical and computational guarantee that the global optimum is found.

TL;DR: In this article, the three-phase coexistence curve of the ethane hydrate+saturated water +saturated liquid ethane was investigated in the temperature range from 290 to 324 K and pressure range from 20 to 479 MPa.

TL;DR: In this paper, a simplified version of the crossover statistical associating fluid theory (SAFT) EOS is used to describe thermodynamic properties of pure fluids and binary mixtures over a wide range of parameters of state including the nearest vicinity of the critical point.

TL;DR: The scaling equation proposed by Rassamdana et al. as mentioned in this paper is an attractive tool for modeling asphaltene precipitation, as it is simple and the properties of complex Asphaltenes are not involved.

TL;DR: In this article, three cubic equations of state combined with different mixing rules are examined with regard to their prediction of solid-supercritical fluid equilibria (SFE) and the computed predictions are compared with experimental data.

TL;DR: In this paper, a procedure for the simultaneous prediction of fluid and solid-fluid equilibria of light gases-heavy hydrocarbons systems under pressure is presented. But this procedure was tested for several binary and ternary systems as well as multi-component systems.

TL;DR: In this paper, the application of ultrasound is shown to be an excellent method to transform the dynamic instruments for the determination of vapour-liquid equilibrium (VLE) data into useful equipment for determination of isobaric VLLE data, and the best place and position of the ultrasonic homogenizer in the instrument is discussed.

TL;DR: In this article, two different experimental techniques for determination of the solid-liquid-gas (S-L-G) phase equilibria in systems with a compressed gas are presented and compared: the modified capillary method and the modified freezing method.

TL;DR: In this paper, the molar volume, isentropic compressibility, and molar refraction changes of mixing of the system diisopropyl ether (DIPE)+isoprocessyl alcohol (IPA)+water were determined at 298.15, 308.15 and 318.15 K. These deviational properties were satisfactorily correlated with the composition data by means of Redlich-Kister polynomials.

TL;DR: In this paper, a thermodynamic model for the calculation of hydrate formation temperatures of different hydrate formers in mixed electrolyte solutions is presented, which uses the existing theory for calculating the water fugacity in single salt solutions and has been extended to mixtures of common electrolytes.

TL;DR: In this article, a phenomenological theory for the effects of interactions on the conductivity of water in oil microemulsions in the dilute limit of spherical droplets is analyzed.

TL;DR: In this paper, the second virial coefficients for lysozyme were calculated from the osmotic pressure data using a Wescor Colloid Membrane Osmometer.

TL;DR: In this article, isobaric vapor-liquid equilibria (VLE) have been experimentally measured for the several binary systems: methanol+dimethyl carbonate (DMC), ethanol+DMC, ethanol+diethyl carbonate, DMC+DEC, and ethanol+ethyl methyl carbonate.

TL;DR: In this article, the solubility in supercritical carbon dioxide of two disperse dyes, C.I. disperse blue 3 (C.I) 79 at temperatures from 323.7 to 413.7 K and pressures from 100 to 300 bar have been measured, using a flow-type equilibrium cell.

TL;DR: In this paper, the physical solubility of carbon dioxide in aqueous methyldiethanolamine (MDEA) solutions neutralized with sulfuric acid is investigated.