Molecular model for the VLE p- T-x relationships of binary mixtures

Abstract

An analytical expression for the pressure-temperature-composition relations in the vapour - liquid equilibrium of non-polar binary mixtures is proposed. The model is based on a simple analytical expression for the vapour pressure of pure non-polar fluids, which, for a given temperature, requires as input only the Lennard- Jones molecular parameters and the acentric factor of the substance. The equilibrium mixture pressure is then expressed as a function of the vapour pressure of each component and of a mixture contribution. The molecular parameters required for this mixture contribution are related to the molecular parameters of the pure component through a modified Lorentz-Berthelot mixing rule, where the interaction parameters are given as simple functions of the temperature and composition, with eight appropriate constants for each binary mixture. We show that the model permits one to reproduce or predict in a simple way the pressure (for a given liquid mole fraction) or the liquid composition (for a given pressure).