Molecular Dynamics Study on the Effect of Polyacrylamide on Electric Field Demulsification of Oil-in-Water Emulsion

聚结(物理) 聚丙烯酰胺 电场 油滴 分子 化学工程 化学 乳状液 离子 水解 分子动力学 化学物理 聚合物 高分子化学 有机化学 计算化学 量子力学 天体生物学 物理 工程类
作者
Shasha Liu,Shifeng Hou,Lin Wang,Shideng Yuan,Shiling Yuan
出处
期刊:Langmuir [American Chemical Society]
标识
DOI:10.1021/acs.langmuir.3c03267
摘要

The effect of the water-soluble polymer (partially hydrolyzed polyacrylamide, HPAM) in produced water on the demulsification process of the electric field was studied by molecular dynamics simulations. By comparing the coalescence process of oil droplets in the electric field environment with or without HPAM, we find that HPAM in the water phase can promote the coalescence of nearly oil droplets but hinder the deformation and migration of oil droplets. By analyzing the radial distribution function and interaction energy between molecules, we conclude that the existence of HPAM molecules can reduce the hydrophilicity of other molecules through their strong interaction with water, and sodium ions (Na+) have strong interaction with bound water in the process of breaking away from HPAM, thus leading the movement of water molecules. At the same time, the influence of HPAM molecules located between the two oil droplets on the demulsification process was also studied. The HPAM molecules and sodium ions located between the two oil droplets also affected the coalescence process of oil droplets under an electric field by interacting with water.
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