Mixtures of polar and nonpolar molecules

Abstract

The site-site Ornstein-Zernike (SSOZ) equation with mean spherical approximation closure is solved analytically for a mixture of hard dumbbells and polar hard dumbbells. The solution reduces to that of the pure polar hard dumbbell fluid at the polar species density rather than the total density. The thermodynamic properties of the mixture are obtained using the zero-pole approximation (ZPA) to the free energy. The mixture is shown to separate into two mixed phases, one rich in the nonpolar species and the other rich in the polar species. This phase separation terminates in an upper critical solution temperature. The excess thermodynamic functions are presented and the mixture exhibits both positive and negative values of the excess volume. The negative values of the excess volume occur in mixtures rich in the polar component.