Effective potential approach to bulk thermodynamic properties and surface tension of molecular fluids II. Binary mixtures of n-alkanes and miscible gas

摘要

A representation of alkanes and alkane/gas mixtures is proposed in terms of simple fluids interacting through pairwise square well potentials parameterised by the range of attractive forces. Using the model, vapour-liquid equilibria and interfacial tension (IFT) are studied both for pure alkane fluids (C4, C5, C6, C8, C10 and C14) and their high pressure binary mixtures formed with methane, nitrogen or carbon dioxide. Potential parameters for the isolated components are first determined from the critical parameters, Fitter's acentric factor and one surface tension datum at a chosen temperature. Cross-term interactions between species are obtained from modified Lorentz-Berthelot rules which provide good fits to the vapour-liquid coexistence densities as functions of mixture composition. At a general state point, the interfacial tension is predicted using generalised van der Waals (gvdW) theory, which is a mean field free energy density functional theory. This semiempirical procedure typically produces very satisfactory agreement with experimental interfacial tension data. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 30]