The structuring in mixtures with acetone as the common solvent

Abstract

ABSTRACTA molecular dynamics study of binary mixtures with acetone and different non-polar solutes (benzene, pentane and carbon tetrachloride) was undertaken. Through the analysis of different structural features, Kirkwood–Buff integrals, as well as energy distributions the weak nonideality is observed, governed mainly by the acetone’s interactions. The excess thermodynamic properties highlighted that the subtle balance between unfavourable energetic and favourable entropic contributions promotes mixing. The solutes, despite showing differences, exhibit globally similar behaviour. The characteristics of these mixtures contrast those of the acetone-methanol mixtures, which exhibit more complex structuring, dictated primarily by the methanol molecules.