Perturbation theory for fluids of rod-like molecules interacting via the Kihara potential

Abstract

For systems of molecules interacting via the Kihara core potential a first-order perturbation theory is proposed. As a reference system soft convex bodies are employed with interactions given by the entire repulsive part of the original pair potential (i.e. for surface-to-surface distances smaller than that of the potential minimum). Their equilibrium behaviour is interpreted on the basis of the representative hard convex bodies-parallel convex bodies to the assumed cores with temperature-dependent thickness. The shape of the distribution function was approximated by the Verlet-Weis form. Theoretical expressions were used for the determination of the thermodynamic functions of the Kihara-molecule systems at several reduced temperatures and compared with experimental data for nitrogen.