Simple pair potential model for real fluids. III. Parameter determination and a revised model for spherical molecules

Abstract

A method combining macroscopic data with atomic structure constants for determination of the parameters of simple potential models is discussed. A revised hybrid potential model, MMH, whose hard core diameter and location of the potential minimum are determined a priori from the atomic structure is proposed. Calculations of the second and third virial coefficients and the viscosity coefficient indicate that the MMH model may be a reliable potential superior to all other simple potential models.