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

Kenji Mochizuki, Tomonari Sumi, Kenichiro Koga

Research output: Contribution to journalArticle

4 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)23915-23918
Number of pages4
JournalPhysical Chemistry Chemical Physics
Volume19
Issue number35
DOIs
Publication statusPublished - 2017

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Influence of co-non-solvency on hydrophobic molecules driven by excluded volume effect'. Together they form a unique fingerprint.

  • Cite this