Solvation thermodynamics of water in aqueous solutions. II. Waterndash;ethanol mixtures

摘要

The solvation thermodynamics of both water and ethanol molecules is studied in mixtures of water and ethanol in the entire range of concentrations. It is found that addition of ethanol tends to make the solvation free energy of water less negative than in pure water. On the other hand, addition of water to pure ethanol, makes the solvation free energy of ethanol slightly more negative than the solvation of ethanol in pure ethanol. The sign of Dgr;Dgr;Gast;is reversed for very high concentrations of water.