Molecular Dynamics Study of Hydration in Ethanol−Water Mixtures Using a Polarizable Force Field

The abnormal physicochemical characteristics of ethanol solvation in water are commonly attributed to the phenomenon of hydrophobic hydration. To investigate the structural organization of hydrophobic hydration in water−ethanol mixtures, we use molecular dynamics simulations based on detailed atomic...

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Veröffentlicht in:	The journal of physical chemistry. B 2005-04, Vol.109 (14), p.6705-6713
Hauptverfasser:	Noskov, Sergei Yu, Lamoureux, Guillaume, Roux, Benoît
Format:	Artikel
Sprache:	eng
Schlagworte:	Alcohols - chemistry Carbon - chemistry Chemistry, Physical - methods Diffusion Ethanol - chemistry Hydrogen Bonding Molecular Conformation Oscillometry Oxygen - chemistry Water - chemistry
Online-Zugang:	Volltext
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