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 report a study on the effects of the amount of oil (100, 300, and 1372 1,2-dichloroethane molecules) spread on a hexadecyltrimethylammonium (CTA) chloride monolayer adsorbed on water. There are some related experimental results, namely, by neutron reflection on the… 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 ›
A study on the calcium ion transfer across the water/nitrobenzene interface is presented. The potential of mean force was calculated and a good agreement was found between the experimental and the calculated free energy of transfer. This is a monotonically… Read more ›