Diffusion coefficients for the inverse twelfth power repulsive potentials

Abstract

Computer calculations of the selfdiffusion constant as a function of density for particles interacting with an inverse twelfth power potential have been performed. It is shown that the results can be fitted with a modified hard sphere approximation using the results of Alder et al (1970), and a hard sphere diameter chosen by the free energy minimization procedure of Mansoori and Canfield (1969). This method also gives a good fit to the results of Levesque and Verlet (1970) for the Lennard-Jones potential.