Abstract

A framework for deriving equations of state from perturbation theory is presented and used to investigate reference fluids more realistic than the hard sphere fluid in an equation of state for the hard-core Lennard-Jones (HCLJ) fluid. We present new simulation results for the compressibility and internal energy of this fluid. We use generalized perturbation theory to derive two new equations of state for the HCLJ fluid that provide accurate fits of the simulation compressibilities. One of these equations is novel in that it is based on a square well reference system, while the other is an extension of commonly used perturbed hard sphere equations of state. We also discuss the similarity between perturbation theory and generalized van der Waals theory.

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