肺表面活性物质
表面张力
接触角
化学
化学工程
吸附
微乳液
水溶液
胶束
下降(电信)
分子动力学
分子
提高采收率
材料科学
热力学
有机化学
复合材料
计算化学
电信
生物化学
物理
计算机科学
工程类
作者
Wei Yong,Zhijie Wei,Yingfang Zhou
标识
DOI:10.1016/j.colsurfa.2024.133165
摘要
Molecular Dynamics (MD) simulations of oil droplet displacement have been performed using pressure driven surfactant flooding at typical reservoir condition (T=330 K and P=20 MPa). The behavior of the micellization of surfactant molecules has been validated. A micelle with a radius of 22.85 Å is formed by 60 anionic sodium dodecyl benzenesulfonate (SDBS) surfactant molecules in aqueous solution. Surfactant additions result in significant reduction of interfacial tension (IFT) for oil/water system and such reduction is dependent on surfactant surface concentration. The microscopic mechanism of IFT reduction is described. Interfacial thickness increases from 3.5 Å to 22.5 Å at T=300 K andP=1 atm after surfactant molecules are adsorbed at oil/water interface, indicating high miscibility of two phases and thus results in interfacial tension reduction; the calculated interface formation energy of a single surfactant molecule is -145.7 Kcal/mol, which means the additions of surfactant would lead to the decrease of system energy and thus a more steady system. For surfactant flooding simulation, oil droplet static contact angle increases with surfactant additions. The larger the static contact angle of oil droplet, the stronger the drop deformation and the higher the displacement speed. Limited deformation is observed as oil droplet detaches from the solid substrate. Compared with water flooding, surfactant additions can significantly increase oil displacement speed by up to 80%.
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