Key words: molecular dynamics, supercritical conditions, computer simulation, structural and dynamic characteristics, water solutions of methanol
The analysis of structural and dynamic characteristics of methanol - water mixtures with the method of molecular dynamics was performed for sub- and supercritical parameters. The range of concentrations of methanol in water, corresponding to the maximum of a heat capacity of these mixtures under normal conditions were investigated. It was revealed that water structure is totally destroyed in supercritical solutions methanol - water at the range of concentrations different from the maximum of its heat capacity. However, certain stabilization of water was observed in the region corresponding to this maximum.