Prediction of vapour–liquid equilibrium data for binary mixtures from molecular parameters using a generalized London potential

Abstract

A recent theory for the characterization of London dispersion forces between polyatomic molecules is extended to permit the prediction of vapour–liquid equilibrium data for binary mixtures. The approach enables the characterization of excess Helmholtz and Gibbs free energies, activity coefficients, vapour-phase compositions and vapour pressures. Satisfactory agreement is found between predicted and experimental data for a range of binary mixtures.