Evaluation of the Percus–Yevick Theory for Mixtures of Simple Liquids

Abstract

This paper reports zero-pressure excess properties of binary fluid mixtures of Lennard-Jones 6:12 molecules calculated from the Percus–Yevick (PY) theory and the energy equation. The PY theory, used this way, gives results that are in excellent agreement with simulation studies.In addition, results obtained from the compressibility equation are discussed for comparison. The geometrical structure of the mixture, as indicated by the PY pair distribution functions, is described. Error estimates are provided for the calculated excess properties.