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

A representation of alkanes and alkane/gas mixtures is proposed in terms of simple fluids interacting through pairwise square well potentials paramete rised by the range of attractive forces. Using the model, vapour-liquid equ ilibria and interfacial tension (IFT) are studied both for pure alkane flui ds (C4, C5, C6, C8, C10 and C14) and their high pressure binary mixtures fo rmed with methane, nitrogen or carbon dioxide. Potential parameters for the isolated components are first determined from the critical parameters, Fit ter's acentric factor and one surface tension datum at a chosen temperature . Cross-term interactions between species are obtained from modified Lorent z-Berthelot rules which provide good fits to the vapour-liquid coexistence densities as functions of mixture composition. At a general state point, th e interfacial tension is predicted using generalised van der Waals (gvdW) t heory, which is a mean field free energy density functional theory. This se miempirical procedure typically produces very satisfactory agreement with e xperimental interfacial tension data. (C) 2000 Elsevier Science B.V. All ri ghts reserved.