Bj. Yoon et al., Calculation of the chemical potentials of hard-sphere solutes solvated in hard-sphere solvents using the radial free-space distribution function, CHEM P LETT, 301(5-6), 1999, pp. 481-486
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.