An inhomogeneous integral equation for the triplet structure of
binary liquids
S. Jorge, E. Lomba and J. L. F. Abascal
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[DOI]
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 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
remarkably well for asymmetric mixtures of Lennard-Jones fluids
for which other approximations at the two particle level tend to be
rather inaccurate.
