Second virial coefficients for O2and N2mixtures with rare gases: A computational assessment

摘要

Second virial coefficients as function of temperature are computed for the title molecular systems interacting with He, Ne, and Ar. The relevant anisotropic forces are obtained via accurate potential functions tested earlier through the analysis of several, different properties of the various systems. The relevant quantum corrections are also computed, in addition to the classical results, and their effects analyzedvisagrave;visthe available experimental data. The influence of such corrections on the very lowhyphen;Tbehavior of the virial coefficients and on the determination of the Boyle temperatures is also shown and discussed. All examined potential functions are found to yieldB(T) values in rather good accord with experiments, in spite of their marked differences in anisotropic behavior and in the shape of their potential well regions.