Association of alkanes with the aqueous liquid-vapor interface: A reference system for interpreting hydrophobicity generally through interfacial fluctuations

Shu Ching Ou, Di Cui, Sandeep Patel

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Abstract

We report free energy calculations and fluctuation profiles of single alkanes (from methane to pentane) along the direction normal to the air-water interface. The induced fluctuations and the interfacial stabilities of alkanes are found to be correlated and similar to the results of inorganic monovalent ions (Ou et al., J. Phys. Chem. B, 2013, 117, 11732). This suggests that hydrophobic solvation of solutes and ions is important in determining the adsorption behavior.

Original languageEnglish (US)
Pages (from-to)26779-26785
Number of pages7
JournalPhysical Chemistry Chemical Physics
Volume16
Issue number48
DOIs
StatePublished - Nov 19 2014

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ASJC Scopus subject areas

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

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