Title: Molecular dynamics simulation of the water/1,2-dichloroethane interface
Abstract: The interface between two immiscible liquids is a region with unique discontinuous properties. Knowledge of the structure and dynamics of this region plays a fundamental role in understanding, from a molecular point of view, many interfacial processes like, for example, charge transfer between the two phases. This paper reports the results of a molecular dynamics simulation of the interface between water and 1,2-dichloroethane (DCE). It is shown that this interface is very sharp at the molecular level, without a mixed region, but broadened by interpenetrating waves of one liquid into the other. In addition, an estimate of the frequency of these interpenetrating waves and a study of the dynamics of the global interface are presented. It is concluded that this dynamics is somewhat regular and has a long correlation time.
Publication Year: 1999
Publication Date: 1999-04-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 15
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