The thermodynamic functions of molecular liquids in the interaction site model

Publisher Website
Google Scholar
Abstract
The excess Helmholtz Free Energy (H.F.E.) of the hard molecule liquid with respect to the perfect gas (point-like non-interacting molecule) is obtained; the Equation of State (E.S.) is then derived. The site-site and molecular correlation functions involved in both the excess H.F.E. and the E.S. are determined in the framework of a modified Reference Interaction Site Model. For a symmetric diatomic molecule the exact value g 11(r = σ+) = 1/4 of the site-site correlation function and the exact second virial coefficient is obtained.