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Issue 35, 2017
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Influence of co-non-solvency on hydrophobic molecules driven by excluded volume effect

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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.

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

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Publication details

The article was received on 20 Jun 2017, accepted on 14 Aug 2017 and first published on 15 Aug 2017


Article type: Communication
DOI: 10.1039/C7CP04152G
Phys. Chem. Chem. Phys., 2017,19, 23915-23918

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

    K. Mochizuki, T. Sumi and K. Koga, Phys. Chem. Chem. Phys., 2017, 19, 23915
    DOI: 10.1039/C7CP04152G

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