Calculation of the chemical potentials of hard-sphere solutes solvated in hard-sphere solvents using the radial free-space distribution function

The chemical potentials of hard-sphere solutes solvated in hard-sphere solvents were calculated by a Monte Carlo method using the radial free-space distribution function. This method is based on calculating the entropy by comparing the free volume of a molecule with that of an ideal gas, and is applicable even when the diameter of solute is very large and the density of system is high. The results are in good agreement with previous simulations using the insertion method (for small solutes) and analytical expressions derived from Boublic–Mansoori–Carnahan–Starling–Leland equation of state.