Molecular dynamics study of water oil separation by polymer surface

The current study investigates the behavior of two immiscible fluids, water and oil on polymeric surfacesusing molecular dynamics simulation. The presence of nano roughnes and domains with positive and negative chargeson polymer surface causes the water molecules to form water clusters of various sizes.Clusters consisting of a smallnumber of water molecules on the nano domains have less mobility, while clusters with more water molecules can slideon the surface which leads to the formation of larger clusters. The formation of large clusters of water molecules resultsin separation of oil and water molecules. The orientation and the order parameter of water molecules in different layersfrom polymer surface is investigated as well.

کلیدواژه ها:

Water-Oil Separation ، Molecular Dynamic Simulation ، Surface ، Polymer