Showing papers in "Fluid Phase Equilibria in 2004"

TL;DR: In this article, the predictions of the properties of mixtures of ionic liquids using COSMOtherm, an approach based on unimolecular quantum chemical calculations of the individual molecules, are presented.

TL;DR: In this paper, a group contribution method for the estimation of the temperature dependent binary interaction parameters (kij(T)) for the widely used Peng-Robinson equation of state (EOS) is proposed.

TL;DR: In this article, three different models have been used to represent the new experimental VLE data, one based on dissymmetric approach with the Peng-Robinson equation of state including classical mixing rules for the vapour phase and a Henry's law treatment of the aqueous phase.

TL;DR: An improved group contribution method for the estimation of the normal boiling point of non-electrolyte organic compounds was developed using experimental data for approximately 2850 components stored in the Dortmund Data Bank (DDB).

TL;DR: In this paper, a van der Waals model for a nonwetting confined fluid in a nanopore is proposed and a shift in the critical temperature, with respect to the bulk value, is predicted.

TL;DR: The experimental VLE and HE data were correlated together with available activity coefficients at infinite dilution γi∞ using the NRTL and UNIQUAC models and the relative van der Waals volume and surface area parameters r and q estimated by the Bondi method as mentioned in this paper.

TL;DR: In this article, experimental measurements and thermodynamic modeling of solubilities of methane and a hydrocarbon gas mixture (94% methane + 4% ethane + 2% n-butane) in water at low temperature conditions are reported.

TL;DR: In this paper, infinite dilution activity coefficients for various solutes (alkanes, alkenes, cycloalkanes and cyclo-alkenes) have been measured for different separation problems not only for ionic liquids, but also N-methyl-2-pyrrolidone (NMP) and ethylene glycol.

TL;DR: The average absolute deviations between experimental and calculated values were 0.6% for the 1-Butyl-3-methylimidazolium tetrafluoroborate + 2,2,2-trifluoroethanol (TFE) mixture and 0.4% for a 1-butyl-1methylamide bromide + TFE mixture as discussed by the authors.

TL;DR: In this article, a new group contribution method is proposed using the statistical associating fluid theory (SAFT) equation of state (EOS), in order to describe the thermodynamic properties of hydrocarbon series.

TL;DR: In this paper, the authors used the transition-state theory to calculate apparent molar volumes and viscosity B -coefficients of the amino acids in aqueous calcium chloride.

TL;DR: In this paper, a new group contribution method for the estimation of critical property data has been developed, based on structural group definitions, with minor modifications, of a method recently published for estimating the normal boiling point by Nannoolal et al.

TL;DR: In this paper, the Perturbed-Chain SAFT (PC-SAFT) equation of state is applied to pure polar substances as well as to vapor-liquid and liquid-liquid equilibria of binary mixtures containing polar low-molecular substances and polar co-polymers.

TL;DR: In this paper, the gradient theory of fluid interfaces is applied to compute the surface tension of various binary and ternary mixtures made up of a gas (carbon dioxide, nitrogen or methane) and hydrocarbons.

TL;DR: In this paper, the authors extended the work of Bishnoi et al. [Fluid Phase Equilib. 53 (1989) 97] to account for the aqueous, ice, solid salts, vapor, liquid hydrocarbon, sI hydrate, sII hydrate and sH hydrate phases.

TL;DR: In this article, the Redlich and Kister polynomial equation was used to estimate the binary interaction parameters of the binary mixtures of phenetole+1-pentanol, + 1-hexanol,+ 1hexanol and 1-heptanol.

TL;DR: In this paper, the authors proposed an alternative derivation of the van der Waals and Platteeuw hydrate equation of state using a different standard state, which was shown to be simpler to use.

TL;DR: In this paper, the PEG6000-sodium citrate-H2O system at 298.15, 308.15 and 318.15 K was determined for the osmotic virial and the UNIQUAC equations with temperature-dependent parameters and with or without Debye-Huckel term.

TL;DR: In this paper, a computer-operated static apparatus for the experimental measurement of gas solubility data by the synthetic method was recently installed, which was used for the determination of carbon dioxide solubilities data in aqueous N-methyldiethanolamine (MDEA), diethanolamines (DEA) solutions and aaqueous solution of a mixture of MDEA/DEA.

TL;DR: In this article, the speeds of sound u, densities ρ and refractive indices n D of homologous series of mono-, di-, and tri-alkylamines were measured in the temperature range from 298.15 to 328.15

TL;DR: In this paper, the authors used the Green-Kubo method to determine shear and bulk viscosity and thermal conductivity for argon, krypton, xenon, and methane.

TL;DR: The solubility of oxygen in several liquid perfluorocarbons was measured in the temperature range between 288 and 313 K and at pressures close to atmospheric values with an apparatus based on the saturation method with an accuracy of ± 1%.

TL;DR: In this paper, a comprehensive mixed-solvent electrolyte model has been applied to calculate phase equilibria and other thermodynamic properties of multicomponent solutions containing salts, acids and bases in wide concentration ranges.

TL;DR: In this article, a total of 61 new experimental data on the solubility of propane in water are reported over a wide temperature range (i.e., 277.62 −368.16 K) up to 3.915 −MPa.

TL;DR: In this article, an ionic liquid has been prepared by directly mixing FeCl3 and 1-methyl-3-butylimidazolium chloride (BMIC) with molar ratio 1/1 under dry argon atmosphere.

TL;DR: In this article, a group contribution method is proposed for the estimation of the vapor pressure of fatty compounds, which is shown to be accurate when it is used together with the UNIFAC model for estimating vapor-liquid equilibria of binary and multicomponent fatty mixtures comprised in industrial processes such as stripping of hexane, deodorization and physical refining.

TL;DR: In this paper, the compositions and densities of the liquid and vapor phases of two binary systems at equilibrium were measured on a new experimental apparatus over a range of temperatures and pressures, and the recently developed quasi-chemical hydrogen-bonding (QCHB) model was used for correlating the experimental data.

TL;DR: In this article, a simplification for the Nasrifar-Moshfeghian (NM) liquid density correlation has been developed, which uses one characteristic parameter for each compound and suggests a value of zero for generalization purpose.

TL;DR: In this article, an extension of a recently developed method for modelling saline water to the thermodynamic prediction of phase behaviour for mixed salt-organic clathrate hydrate inhibitor aqueous solutions is presented.

TL;DR: In this article, a modified united atom forcefield is developed for the ionic liquid 1- n -butyl-3-methylimidazolium hexafluorophosphate.