Brownian dynamics simulations of electrolyte mixtures: computation of transport coefficients and comparison with an analytical transport theory

We present results of Brownian dynamics simulations of NaCl/KCl mixtures fo r a total molality of 0.5 mol kg(-1), including hydrodynamic interactions. The electrical conductivity and the self-diffusion coefficients are compare d to experimental data. We also compare these results to theoretical calcul ations of the conductivity, based on the solution of Fuoss-Onsager continui ty equations using mean spherical approximation (MSA) equilibrium pair dist ribution functions. In particular, the influence of relaxation and electrop horetic effects will be both studied by simulation and analytical theory. ( C) 2000 Elsevier Science B.V. All rights reserved.