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 double layers developing on a flat mineral surface in aqueous sodium chloride solutions. The first part considered the configuration of the double layer in comparison to the classical point of view. This part investigates the influences of changed system properties on the double layer. For this purpose systems of different temperature, electrolyte concentration, and surface charge were simulated. The interaction of two overlapping double layers was investigated in comparison to that of single double layers. Nonequilibrium investigations using electrokinetic and rheological measurements provide findings regarding the microscopic behavior of a double layer under shear. (C) 1998 Academic Press.