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 solv ents were calculated by a Monte Carlo method using the radial free-space di stribution function. This method is based on calculating the entropy by com paring the free volume of a molecule with that of an ideal gas, and is appl icable even when the diameter of solute is very large and the density of sy stem is high. The results are in good agreement with previous simulations u sing the insertion method (for small solutes) and analytical expressions de rived from Boublic-Mansoori-Carnahan-Starling-leland equation of state. (C) 1999 Elsevier Science B.V. All rights reserved.