Molecular dynamics study of water oil separation by nanoparticles
کد مقاله : 1016-PHYSCHEM20
حجت زاهدی *1، معصومه فروتن2، حمیده بابازاده کمانگر3
1دانشجو دانشگاه تهران
2استاد دانشگاه تهران
3دانشگاه تهران
چکیده مقاله:
The current study investigates the behaviour of two immiscible fluids, water and oil in the absence and presence of nanoparticles using molecular dynamics simulation. In the presence of nanoparticles, accumulation of water 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 in adsorbing water molecules from the water-oil mixture. The orientation and the order parameter of water molecules in surface and around the nanoparticles are investigated as well and Order parameter and orientation angle increase in regions between 10 and 20 Å for water molecules..
کلیدواژه ها:
Water-Oil Separation, Molecular Dynamic Simulation, Surface, Nanoparticle
وضعیت : مقاله برای ارائه به صورت پوستر پذیرفته شده است