Peculiarities of solvation of particles in methanol on computerized simulation data

Infinitely diluted solutions of xenone and Cs+, I- ions in methanol have been modeled by the Monte Carlo method. Thermodynamic and structural characteristics of solvation have been calculated. It is shown that the effects of particles building into the solvent intrinsic structure and packings of methyl groups of methanol molecules affect mutual location and orientation of methanol molecules in the first solvate shells of the particles. 10 refs.; 4 figs