Abstract: Brownian dynamics simulation is carried out to study the electrolyte solution. We take into account the effect of hydrodynamic interactions and combine an acceptance criterion known from the Smart Monte Carlo method with the traditional method. As a result, unrealistic movements are avoided and overlapping configurations are prevented, furthermore, bigger time step can be applied. The solvent-averaged interaction potential between the ions is modeled by pairwise repulsive soft-core interactions and Coulomb forces which is handled by Ewald Summation Technique. The radial distribution function g +-(r), g ++(r) and g --(r) are obtained and compared with that from HNC integral equation and simulations available in literature. Self-diffusion coefficients of ions are obtained with the equivalent Green-Kubo expressions derived from the linear response theory on the Smoluchowski Level. The results are in good agreement with those from experiments.

Key words: Brownian dynamics simulation, Electrolyte solution, Radial distribution function, Self-diffusion coefficient