Molecular dynamics study of water oil separation by nanoparticles

The current study investigates the behaviour of two immiscible fluids, water and oil in the absence andpresence of nanoparticles using molecular dynamics simulation. In the presence of nanoparticles, accumulation ofwater molecules around the particles leads to larger water clusters formation and improves separation water from oil.Nanoparticle acts faster in the adsorption of water molecules and forms larger clusters and is more successful inadsorbing water molecules from the water-oil mixture. The orientation and the order parameter of water molecules insurface and around the nanoparticles are investigated as well and Order parameter and orientation angle increase inregions between 10 and 20 Å for water molecules.

کلیدواژه ها:

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