Simple perturbation method for convexmolecule fluids
Abstract
The secondorder perturbation theory of convexmolecule fluids with pair interactions of the generalized Kihara type is considered. The double Yukawa potential function and the Laplace transform of the hardsphere correlation function in the PY approximation are used to evaluate a part of the perturbation integral. The perturbation theory was applied to model systems of the LJ molecules and Kihara rodlike particles; calculated thermodynamic functions agree well with the corresponding Monte Carlo data and results from the WeeksChandlerAndersen theory. Characteristic parameters of several fluids with spherical and rodlike molecules were evaluated from the saturated liquid properties. Comparison with the corresponding parameters of the multicenter LJ potential is given.
 Publication:

Journal of Chemical Physics
 Pub Date:
 August 1987
 DOI:
 10.1063/1.453187
 Bibcode:
 1987JChPh..87.1751B