Role of polarizability in molecular interactions in ion solvation

Abstract

Non-primitive model Monte Carlo simulations are carried out to explore the importance of dispersion forces for the description of aqueous sodium halide solutions, and contrasted with those for CCl4. For this purpose the classical pair potential approximation is revisited. The role of the polarizability of solvent molecules and of the ions is investigated and discussed in detail. (C) 2004 Elsevier Ltd. All rights reserved.