A consistent integral equation theory for hard spheres.
The standard integral equation approach is used to extract the bridge function and other correlation functions of hard spheres fluid. To achieve this, we first use a recent consistent closure relation proposed by Bomont et al. [J. Chem. Phys. 119, 2188 (2003)] that has already proven to be accurate to describe the Lennard-Jones fluid properties. Second, we take advantage of the coherent scheme derived by Bomont [J. Chem. Phys. 119, 11484 (2003)] to calculate the excess chemical potential, the entropy and some relative transport properties. Very good agreement is obtained for structural quantities and thermodynamic properties as compared to exact data at densities ranging from 0.1 to 0.9.
Bomont
Jean-Marc
JM
Equipe de Chimie et Biochimie Theoriques, UMR CNRS-UHP 7565, Universite Henri Poincare Nancy I, F-54509 Vandoeuvre-Les-Nancy, France. bomont@sciences.univ-metz.fr
Bretonnet
Jean-Louis
JL