Theory and simulation of the triplet structure factor and triplet direct correlation functions in binary mixtures

7 pags., 10 figs., 1 app.The triplet direct correlation functions and structure factors related to Monte Carlo simulations were discussed for a binary mixture of hard spheres. The triple correlation functions play an essential role in the description of structure and dynamics of fluids. The two integral equation theories, namely, an extension to mixtures of Attard's inhomogeneous integral equation approach and Barat, Hansen, and Pastore's factrization ansatz, yielded estimates for the triplet structure fuctions. The study showed that the inhomogeneous integral equation theory is more suited to furnish triplet distribution function results, whereas the factorization ansatz theory is appropriate for triplet direct correlation functions.This work was funded by the Spanish Ministerio de Ciencia y Tecnologıa under Grant No. PB97-0258. S.J. acknowledges financial support from the Universidad Complutense de Madri