Structure and properties of acetone solvates in binary mixtures with some nonpolar solvents

Abstract

Variations of short-range molecular interactions in acetone-nonpolar solvent systems have been evaluated, and the nature of these variations has been determined in terms of a new continual parameter-free approach to modeling the structure and properties of binary liquid nonelectrolyte mixtures. The results have been obtained by comparing the experimental heats of mixing of acetone with nonpolar solvents with the calculated changes in the energy of solvation in analogous model systems. The theoretical and experimental data suggest formation of azeotrope and demonstrate the effect role of short-range intra- and intermolecular interactions on the azeotrope parameters. No symmetry has been found in the differences between the compositions of solvation shells of acetone molecules and nonpolar counterparts as compared to the solvation shell compositions typical of mixtures formed by only polar or only nonpolar solvents.