The binary diffusion coefficient of benzene at high dilution in the dense gas CO₂

Abstract

The binary diffusion coefficient D ₁₂ of various substances measured at high dilution in dense CO₂ is not describable by the Enskog-Thorne approach. A simplified model potential is presented here, which allows the simulation of the D ₁₂ and the thermodynamic properties of the system CO₂/C₆H₆ by molecular dynamics calculations over a wide range of density of CO₂. The failure of the Thorne equation is attributed mainly to the neglect of the attractive interactions in dense gases.