Molecular dynamics study of water oil separation by polymer surface
کد مقاله : 1015-PHYSCHEM20
نویسندگان:
حجت زاهدی *، معصومه فروتن، حمیده بابازاده کمانگر
استاد دانشگاه تهران
چکیده مقاله:
The current study investigates the behavior of two immiscible fluids, water and oil on polymeric surfaces using molecular dynamics simulation. The presence of nano roughnes and domains with positive and negative charges on polymer surface causes the water molecules to form water clusters of various sizes.Clusters consisting of a small number of water molecules on the nano domains have less mobility, while clusters with more water molecules can slide on the surface which leads to the formation of larger clusters. The formation of large clusters of water molecules results in separation of oil and water molecules. The orientation and the order parameter of water molecules in different layers from polymer surface is investigated as well.
کلیدواژه ها:
Water-Oil Separation, Molecular Dynamic Simulation, Surface, Polymer
وضعیت : مقاله برای ارائه به صورت پوستر پذیرفته شده است