Adsorption of n-alkane vapours at the water surface

Frederic Biscay; Aziz Ghoufi; Patrice Malfreyt

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Adsorption of n-alkane vapours at the water surface

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Monte Carlo simulations are reported here to predict the surface tension of the liquid-vapour interface of water upon adsorption of alkane vapours (methane to hexane). A decrease of the surface tension has been established from n-pentane. A correlation has been evidenced between the decrease of the surface tension and the absence of specific arrangement at the water surface for n-pentane and n-hexane. The thermodynamic stability of the adsorption layer and the absence of film for longer alkanes have been checked through the calculation of a potential of mean force. This complements the work recently published Ghoufi et al., Phys. Chem. Chem. Phys., 2010, 12, 5203 concerning the adsorption of methane at the water surface. The decrease of the surface tension has been interpreted in terms of the degree of hydrogen bonding of water molecules at the liquid-vapour interface upon adsorption.

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《Physical chemistry chemical physics: PCCP》 |2011年第23期|11308-11316|共9页
作者
Frederic Biscay; Aziz Ghoufi; Patrice Malfreyt;
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作者单位

Clermont Universite, Universite Blaise Pascal, Lahoratoire de Thermodynamique et Interactions Moleculaires, CNRS, UMR 6272, LTIM, BP 10448, F-63000 CLERMONT-FERRAND, France;

Institut de Physique de Rennes, UMR CNRS 6251, Universite Rennes 1, 263 avenue du General Leclerc, 35042 Rennes, France;

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正文语种英语
中图分类物理学;
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Adsorption of n-alkane vapours at the water surface

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