Comparison of predictions of dilute gas bulk properties on the basis of some new krypton potentials

Abstract

The krypton potentials of Barker et al., Buck et al., Gough et al. (Maitland and Smith (n-6)) and Thakkar and Smith (MIST 2C and 6B) are compared as to their ability to predict dilute gas properties (second virial, viscosity, self-diffusion and thermal conductivity coefficients and thermal diffusion factors). The potentials of Barker et al. and Buck et al. and Gough et al. (MS) accurately predict these properties almost equally. The MIST potentials do not fare quite so well. The isotopic thermal diffusion factor, the dilute gas property most sensitive to the shape of the potential, is best described by the Buck et al. and MS potentials. An analysis of this property suggests the correctness of the slope of the repulsive wall of these potentials.