Ab initio study of the vapour-liquid critical point of a symmetrical binary fluid mixture

O. V. Patsahan; M. P. Kozlovskii; R. S. Melnyk

doi:10.1088/0953-8984/12/8/303

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arXiv · cond-mat/9907195

Ab initio study of the vapour-liquid critical point of a symmetrical binary fluid mixture

O. V. Patsahan·M. P. Kozlovskii·R. S. Melnyk

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Abstract

A microscopic approach to the investigation of the behaviour of a symmetrical binary fluid mixture in the vicinity of the vapour-liquid critical point is proposed. It is shown that the problem can be reduced to the calculation of the partition function of a 3D Ising model in an external field. For a square-well symmetrical binary mixture we calculate the parameters of the critical point as functions of the microscopic parameter r measuring the relative strength of interactions between the particles of dissimilar and similar species. The calculations are performed at intermediate ($λ=1.5$) and moderately long ($λ=2.0$) intermolecular potential ranges. The obtained results agree well with the ones of computer simulations.

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O. V. Patsahan, M. P. Kozlovskii, R. S. Melnyk. 1999-07-13. Ab initio study of the vapour-liquid critical point of a symmetrical binary fluid mixture. https://doi.org/10.1088/0953-8984%2F12%2F8%2F303

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