An inhomogeneous integral equation for the triplet structure of binary liquids

The inhomogeneous integral equation proposed by Attard for the study of tri plet correlations [J. Chem. Phys. 91, 3072 (1989)] has been generalized to multicomponent systems. Defining one of the particles of a triplet as the s ource of an external field, the three particle distribution functions for t he 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. (C) 2001 American Institute of Physics.