Structure of ternary additive hard-sphere fluid mixtures

TL;DR

This paper investigates the structural properties of ternary additive hard-sphere fluid mixtures using Monte Carlo simulations, comparing results with analytical approximations and integral equation solutions, showing improved accuracy over traditional methods.

Contribution

It provides a detailed comparison of simulation data with recent analytical and integral equation approaches for ternary hard-sphere mixtures, highlighting their accuracy and limitations.

Findings

Good agreement between simulations and analytical approximation.

Improved predictions near contact over Percus-Yevick closure.

Validation of analytical methods for complex fluid mixtures.

Abstract

Monte Carlo simulations on the structural properties of ternary fluid mixtures of additive hard spheres are reported. The results are compared with those obtained from a recent analytical approximation [S. B. Yuste, A. Santos, and M. Lopez de Haro, J. Chem. Phys. 108, 3683 (1998)] to the radial distribution functions of hard-sphere mixtures and with the results derived from the solution of the Ornstein-Zernike integral equation with both the Martynov-Sarkisov and the Percus-Yevick closures. Very good agreement between the results of the first two approaches and simulation is observed, with a noticeable improvement over the Percus-Yevick predictions especially near contact.