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

doi:10.1039/c4cp03170a

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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2 Scopus citations

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 language	English (US)
Pages (from-to)	26779-26785
Number of pages	7
Journal	Physical Chemistry Chemical Physics
Volume	16
Issue number	48
DOIs	https://doi.org/10.1039/c4cp03170a
State	Published - Nov 19 2014
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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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.",

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AB - 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.

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

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