Journal of Colloid and Interface Science, Vol.208, No.2, 555-561, 1998
Molecular dynamic simulations of single, interacting, and sheared double layers - 1. Configuration of a double layer
This article presents the results of molecular dynamic simulations of double layers developing on a hat mineral surface in aqueous sodium chloride solution. This part depicts the simulation results compared to classical double layer theory. Ion distribution, solvent orientation, and potential curve were derived for this propose. Dynamical values were calculated in the steady state and used to assess the idea of two parts of a double layer, stagnant and mobile, separated by a shear plane.