Molecular dynamics simulation of the water/1,2-dichloroethane interface

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 i