An inhomogeneous integral equation for the triplet structure of binary liquids

Abstract

The inhomogeneous integral equation proposed by Attard for the study of triplet correlations [J. Chem. Phys. 91, 3072 (1989)] has been generalized to multicomponent systems. Defining one of the particles of a triplet as the source of an external field, the three particle distribution functions for the mixture are calculated using the inhomogeneous Ornstein–Zernike equation, an approximate closure relation and the Triezenberg–Zwanzig relation. The proposed theory performs satisfactorily for asymmetric mixtures of Lennard–Jones fluids for which other approximations at the two particle level tend to be rather inaccurate.