Properties of the Liquid−Vapor Interface of Water−Dimethyl Sulfoxide Mixtures. A Molecular Dynamics Simulation and ITIM Analysis Study

Molecular dynamics simulations of the liquid−vapor interface of water−dimethyl sulfoxide (DMSO) mixtures of nine different compositions, ranging from neat water to neat DMSO, are performed on the canonical (N,V,T) ensemble at 298 K. The surface molecular layer of the systems are identified and analy...

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Veröffentlicht in:	Journal of physical chemistry. C 2010-07, Vol.114 (28), p.12207-12220
Hauptverfasser:	Pojják, Katalin, Darvas, Mária, Horvai, George, Jedlovszky, Pál
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Surfaces, Interfaces, Catalysis Physics
Online-Zugang:	Volltext
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