Langevin dynamics simulations of electrolyte solutions. Influence of friction and random forces

Abstract

The dynamic effects of the solvent on the ionic properties in electrolyte solutions are investigated. Langevin dynamics simulations of 1 mol dm^–3 NaCl aqueous solutions at 298 K were carried out. The same mean force potentials at infinite dilution were used in all simulations, whereas the viscous and stochastic forces were obtained from different memory functions. The dependence of both the transport properties of the ions and the number and lifetimes of the binary clusters on the assumed memory is discussed.