Perturbation theory for the radial distribution function

Abstract

Perturbation theory is used to consider expansions for the radial distribution function, g ₂(r), of a fluid with a soft core. We consider the Lennard-Jones (12, 6) potential and divide it into repulsive and attractive regions. In the repulsive region we expand the function exp (β u(r))g ₂(r) about a hard sphere value. For the first-order contribution of the attractive region we consider a simple approximation to the exact analytical expression. The resulting g ₂(r) is accurate at densities below about ρσ ³=0·5.

Additional information

Notes on contributors

W.R. Smith

National Research Council of Canada Postdoctoral Fellow.

E.W. Tiepel

Eppley Foundation Fellow. On leave from: Department of Chemical Engineering, University of Florida, Gainesville, Florida 32601, U.S.A.