Influence of co-non-solvency on hydrophobic molecules driven by excluded volume effect

Literature Information

Publication Date 2017-08-15
DOI 10.1039/C7CP04152G
Impact Factor 3.676
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Abstract

We demonstrate by molecular dynamics simulation that co-non-solvency manifests itself in the solvent-induced interaction between three hydrophobes, methane, propane and neopentane, in methanol–water mixtures. Decomposition of the potential of mean force, based on the potential distribution theorem, clearly shows that the solute–solvent entropic change is responsible for stabilizing the aggregation of these hydrophobic molecules. Furthermore, we show that the entropic change pertains to the excluded volume effect.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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