A variable charge central force model for water and its ionic dissociation products

Abstract

The Central Force Model for water is adjusted to contain features of the Polarization Model for water and its ionic dissociation products. An ‘‘electronegativity’’ term which permits charge transfer between dissimilar moieties (protons and oxide ions in the water system) is introduced. A parameterization of this new Variable Charge Central Force Model (VCCF) is presented, and results on water and hydroxide ion are presented which support the view that some damage has occurred, and some improvement has been accomplished.