Models in theory of molecular liquid mixtures: Structure, Dynamics and physicochemical properies.

Models of structure and properties of liquid mixtures have been outlined. Main attention is given to the extended quasichemical approach for modeling supramolecular ordering in mixtures, selforganized by H-bonds and unified description of their physicochemical properties. Models of polyvariable supramolecular species as regard to structure and composition, taking in account the coopcrativity on H-bonding, as well as the methods for describing their structure, composition, electric (dipole moment), and optic (polarisability) properties are developed. Interrelations between thermodynamic functions (Gibbs energy, enthalpy, entropy), dielectric (permittivity), and optic (refractive index and its fluctuation derivatives, determining Rayleigh light scattering) properties of mixtures, and microscopic characteristics of aggregates are analyzed. The methods for obtaining both the integral and differential parameters of aggregation are developed, applicable for structural study of the long range molecular correlations, including supramolecular aggregates of nanosizes. Models of the media with internal parameters of different nature and tensor dimension have been outlined. Backgrounds for their application to study dynamic processes of the supramolecular reorganization, intramolecular transitions, and energy transfer, as well as fluctuation and relaxation phenomena are considered. Fluctuation and relaxation contributions of internal parameters to both equilibrium and kinetic properties and Rayleigh ratio of mixtures were established. The applications to individual liquids and mixtures are illustrated. New data on the structure of aggregates and thermodynamics of their formation were obtained. Supramolecular assemblies in liquids with the long range molecular correlations were revealed. Macroscopic manifestations of the supramolecular organization in physicochemical properties of liquids are discussed.