Mechanism and Dynamics of Ion Transfer Across a Liquid-Liquid Interface

Abstract

A detailed molecular model for ion transfer across the interface between water and 1,2-dichloroethane provides insight into the mechanism of the transfer across the interface between two immiscible liquids. Extensive molecular dynamics computer simulations underscore the roles of surface roughness and capillary distortions in this process, demonstrate that ion transfer is an activated rather than a simple diffusive process, and provide a test for the applicability of theoretical models.