Radial Distribution Functions for Binary Fluid Mixtures of Lennard-Jones Molecules Calculated from the Percus—Yevick Equation

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Abstract
Using the Lennard‐Jones 6–12 potential and the Percus—Yevick equations, the radial distribution functions for a number of binary mixtures have been calculated as a function of the Lennard‐Jones parameters and the thermodynamic state. These are compared with one‐component distribution functions and with those for binary hard‐sphere fluids. The effect of a hard‐sphere core, a softer attractive portion, and deviations from the combining rules ε12= (ε1ε2)½ and σ12= (σ1+σ2)/2 are also discussed. We find that the distances from the central molecules to the peaks of the distribution functions are entirely similar to those in the corresponding hard‐sphere systems. The peak heights are considerably different, however. These are most sensitive to the nature of the repulsive potential and to the combining rule for σ12.