Collect. Czech. Chem. Commun. 1980, 45, 3051-3056

Excess thermodynamic functions of kihara-molecule mixtures from the simple perturbation theory

Santiago Lagoa and Tomáš Boublíkb

a Departamento Quimica Fisica and Instituto Rocasolano CSIC, Facultad Quimicas, Universidad Complutense, Madrid 3, Spain
b Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol


Theoretical relations for excess properties, ΔGE and ΔHE, of liquid mixtures whose molecules are representable by convex bodies, were derived from Boublík's perturbation theory and semiempirical equations for the pair distribution function of a reference system. A non-spherical Kihara potential is considered and the thickness of representative bodies is determined from a generalized Barker-Henderson's theory. Computed results for binary mixtures N2 + Ar, N2 + O2, N2 + CH4 and benzene-cyclohexane are in reasonable agreement with experiment.