Molecular Modelling of Thermodynamic and Related Properties of Mixtures

The results of recent developments on modelling of supramolecular ordering and physicochemical properties of molecular mixtures have been reviewed. The main attention is paid to the unified approach based on a generalized quasichemical model for a set of thermodynamic, dielectric and optical properties of mixtures, self-organized by specific bonding. Interrelations between thermodynamic, as well as dielectric, and optical properties of liquid mixtures, reflecting different molecular parameters, and the characteristics of quasichemical processes are presented. Applications for thermodynamic functions of mixing, permittivity, coefficients Rayleigh light scattering in molecular mixtures are considered. Data on thermodynamics of aggregation in mixtures have been obtained. This revised version was published online in July 2006 with corrections to the Cover Date.