Hydrophobicity Varying with Temperature, Pressure, and Salt Concentration

Kenichiro Koga, N. Yamamoto

Research output: Contribution to journalArticle

Abstract

Temperature-, pressure-, and salt-concentration-induced variations in the solubility of small nonpolar solutes in aqueous solution and the corresponding variations in the solvent-induced pair attraction between such solute molecules are investigated. The variations in the solvation free energy of a solute and those in the solvent-induced pair attraction are well reproduced by a mean-field approximation in which the repulsive cores of solute molecules are treated as hard spheres and the mean-field energy of a solute molecule is taken to be the average potential energy that the solute molecule feels in solution. The mechanisms of variation in the solvation free energy and those of variation in the solvent-induced pair potential, with increasing temperature, pressure, and salt concentration, are clarified. Correlations between the solvation free energy and the solvent-induced pair potential at a contact distance in temperature, pressure, and salt concentration variations are near linear in any mode of variation, but the slope of the linear relation is dependent on the mode of variation and is determined by a ratio of the solvation thermodynamic quantities characteristic of each mode of variation.

Original languageEnglish
Pages (from-to)3655-3665
Number of pages11
JournalJournal of Physical Chemistry B
Volume122
Issue number13
DOIs
Publication statusPublished - Apr 5 2018

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Solvation
Hydrophobicity
hydrophobicity
Hydrophobic and Hydrophilic Interactions
Salts
Free energy
salts
Pressure
Molecules
Temperature
solutes
solvation
temperature
Potential energy
free energy
Thermodynamics
Solubility
attraction
molecules
solubility

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

Cite this

Hydrophobicity Varying with Temperature, Pressure, and Salt Concentration. / Koga, Kenichiro; Yamamoto, N.

In: Journal of Physical Chemistry B, Vol. 122, No. 13, 05.04.2018, p. 3655-3665.

Research output: Contribution to journalArticle

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