Brownian dynamics: Its application to ionic solutions

Abstract

The method of molecular dynamics is applied to a solvent‐averaged model of electrolyte solutions, described by a generalized Langevin equation. For Brownian motion without solute–solute interactions, we recover the characteristic features of an infinitely dilute solution. For interacting brownons, the results exhibit a noticeable dependence of the calculated self‐diffusion coefficients on the influence of the Coulomb forces. The model system exhibits ion association when the Coulomb forces are made strong enough.