Molecular dynamics simulation of electro-osmotic flow in a nanonozzle

Using the molecular dynamics method, the electro-osmotic flow (EOF) of a model electrolyte in a nanonozzle is simulated. Understanding the behaviour of EOF in a nanonozzle is very important to the setup of biomedical devices. In addition to flow properties such as velocity and number density, the effect of roughness because of the different face centred cubic lattice planes on velocity profiles is investigated in this Letter. It is observed that the (110) plane is rougher than the (100) and (111) planes. It is also concluded that the momentum affects the layering next to the wall surface. Reducing the amount of time because of the use of the Verlet neighbour list is also probed.