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

Fingerprint

neopentane
Propane
Molecules
Methane
propane
Methanol
Molecular dynamics
molecules
solutes
methane
Agglomeration
methyl alcohol
theorems
molecular dynamics
Decomposition
decomposition
Water
Computer simulation
water
simulation

ASJC Scopus subject areas

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

Cite this

Influence of co-non-solvency on hydrophobic molecules driven by excluded volume effect. / Mochizuki, Kenji; Sumi, Tomonari; Koga, Kenichiro.

In: Physical Chemistry Chemical Physics, Vol. 19, No. 35, 2017, p. 23915-23918.

Research output: Contribution to journalArticle

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