Comparison of experimental dilute gas properties with the predictions of three realistic intermolecular potentials for Ar-Kr

Abstract

Three recent realistic forms of pair potential energy functions for the Ar-Kr system are tested for their ability to reproduce the available experimental gas-phase bulk property data: second virial, viscosity and diffusion coefficients. The potentials are those due to Konowalow and Zakheim (M06), Lee et al. (LHB) and Gough et al. (GMSM). ‘Three potential’ calculations of the thermal diffusion factor for this system are also performed and compared with the experimental data of various workers. The agreement in the low temperature region is particularly very poor for all three unlike molecule potential energy functions studied here. The LHB and GMSM potentials are found to describe fairly realistically the parts of the potential energy curve for this system which are influenced by the bulk property data considered in the present study.