MOLECULAR VOLUME, SURFACE-AREA, AND CURVATURE DEPENDENCE OF THE CONFIGURATIONAL ENTROPY CHANGE UPON SOLVATION - EFFECTS OF MOLECULAR BONDING

The dependence of configurational entropy change in the fused hard-sph ere reference system upon solvation on the solute's volume, surface, a nd curvature is investigated by using the thermodynamical perturbation theory of the fused hard spheres based on a rigorous treatment of the PV term. It is shown that no volume-proportional terms exist in the s olvation free energy for spherical solutes, except for the PV term whi ch is usually negligible in liquids. The effect of solute's and solven t's chain length on the configurational entropy is also presented. (C) 1998 Elsevier Science B.V.