An effective isotropic pair potential energy function for carbon dioxide

Abstract

An effective isotropic pair potential energy function is reported, calculated by a three-iteration inversion of correlated carbon dioxide gas viscosities. The procedure yields a well depth of 252.7 K. The potential function is compared with a sphericalisation of a two-centre exp-6 function. A comparison is made between experimental second virial coefficients and coefficients calculated from the potential energy function. The use of the potential energy function in the calculation of the well depth for interactions between carbon dioxide and monatomic or pseudo-spherical gases such as argon is discussed.