Molecular dynamic simulations of single, interacting, and sheared double layers - 2. Influence of system properties, overlap, and shear

This article presents the results of molecular dynamic simulations of doubl e layers developing on a flat mineral surface in aqueous sodium chloride so lutions. The first part considered the configuration of the double layer in comparison to the classical point of view. This part investigates the infl uences of changed system properties on the double layer. For this purpose s ystems of different temperature, electrolyte concentration, and surface cha rge were simulated. The interaction of two overlapping double layers was in vestigated in comparison to that of single double layers. Nonequilibrium in vestigations using electrokinetic and rheological measurements provide find ings regarding the microscopic behavior of a double layer under shear. (C) 1998 Academic Press.