Accommodation of Alcohols by the Liquid/Vapor Interface of Water:  Molecular Dynamics Study

Molecular dynamics computer simulations have been used in conjunction with statistical mechanical perturbation theory to examine the process by which water, ethanol, and ethylene glycol (1,2-ethanediol) molecules are transported from the vapor phase into bulk water. The calculated energetics for sol...

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Veröffentlicht in:	Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical Surfaces, Interfaces, amp Biophysical, 1999-02, Vol.103 (5), p.844-851
Hauptverfasser:	Taylor, Ramona S, Garrett, Bruce C
Format:	Artikel
Sprache:	eng
Schlagworte:	ATMOSPHERIC CHEMISTRY COMPUTERIZED SIMULATION ENVIRONMENTAL SCIENCES ETHANOL GLYCOLS MASS TRANSFER MATHEMATICAL MODELS PHASE STUDIES
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