Atamas A. The influence of the molecules of the soluted substance on the structure and thermodynamical properties of water.

The thesis is devoted to the determination of the influence of the structure, po-la-ri-ty and concentration of the soluted substance on the structure and energetics of aqueous solutions at temperature 300 K. It was found out that the less polarity of the soluted molecule the stronger influence of that molecule on the change of the solution hydrogen bond net. The analysis of the radial distribution functions, the energies of intermolecular interactions and numbers of the nearest neighbours for the aqueous solution of ethanol at different concentrations has allowed to determine the concentrations at which the clusters are formed in the solution: at xet=0.22 м.д. the clusters of the ethanol molecules are formed; at xet=0.75 м.д. the clusters of the water molecules begin to form.