Calculated Self-Diffusion Coefficients for Liquid Argon

Abstract

The method of molecular dynamics has been applied with the Barker?Bobetic pair potential for argon interactions to calculate the self-diffusion coefficients of liquid and dense gaseous argon. These self-diffusion coefficients are compared with experimental values and with values obtained from the Lennard?Jones potential. There are significant differences between the calculated and experimental values at high densities.