Extraction a formalism for fluids with non-spherical molecules based on the cluster expansion of the energy functional

Abstract

In this work, based on the cluster expansion of the energy functional, we have extracted a formalism for calculation of the thermodynamic properties of fluids with non-spherical molecules. The salient feature of the extracted formalism is that it has no restrictions on the type of interaction. In fact our formalism can be employed for all types of realistic inter-particle interactions. Here, for the interaction of two anisotropic molecules, we have applied the Gay-Berne potential. Finally, we have applied this formalism to calculate some thermodynamic properties of fluid H2 which shows some expected results.