Computer Modeling

The main purpose of this article is to understand at the microscopic level the possible effect of the chain length on the properties of an adsorbed monolayer between two immiscible liquids. We report a molecular dynamics simulation study of an… Read more ›

We have simulated a hexadecyltrimethylammonium (CTA) chloride monolayer adsorbed at the water/air and water/1,2-dichloroethane (DCE) interfaces. A diffusive electrical double layer was found formed by the chloride and CTA ions. It was found that the water molecules change their dipole… Read more ›