Acta Chimica Sinica ›› 2007, Vol. 65 ›› Issue (24): 2803-.     Next Articles

烷基苯磺酸盐在油水界面行为的介观模拟

李振泉2, 何秀娟1, 李英*,1, 马保民1, 曹绪龙2, 宋新旺2, 崔晓红2   

  1. (1山东大学化学与化工学院胶体与界面教育部重点实验室 济南 250100)
    (2中石化胜利油田地质科学研究院 东营 257015)
  • 投稿日期:2007-05-08 修回日期:2007-06-22 发布日期:2007-12-28
  • 通讯作者: 李英

Mesoscopic Simulation Study on the Behavior of Salt Alkylbenzene Sulphonate Adsorbed at Oil/Water Interface

LI Zhen-Quan2; HE Xiu-Juan1; LI Ying*,1; MA Bao-Min1; CAO Xu-Long2; SONG Xin-Wang2; CUI Xiao-Hong2   

  1. (1 Key Laboratory for Colloid and Interface Chemistry of State Education Ministry, Shandong University, Jinan 250100)
    (2 Geological Scientific Research Institute, Shengli Oilfield, Dongying 257015)
  • Received:2007-05-08 Revised:2007-06-22 Published:2007-12-28
  • Contact: LI Ying

With a simple coarse-grained model, the properties of sodium dodecylbenzene sulphonate (SDBS) adsorbed at the water/oil interface, has been investigated on a mesoscopic level by considering the variation of interfacial density using dissipative particle dynamics (DPD) simulation. Compared with sodium dodecyl sulphonate systems, sodium dodecylbenzene sulphonate are more efficient. An increase of surfactants interfacial concentration results in the increase of its interfacial density before reaching a full monolayer and appropriate salts make surfactant molecules adsorbed more at interface. It is beneficial to decrease interfacial tension if the hydrophobic chains of the surfactant and the oil have similar structure. The simulation conclusions are well consistent with the experimental results. Also with computer simulation method, we have observed that SDBS is not distributed homogeneously over the interface. Rather, the interfacial layer contains large cavities between SDBS clusters filled with water or oil clusters. When TX-100 molecules were introduced, clusters formed by nonionic surfactants filled SDBS cavities, thus decreased the interfacial tension to ultra low, even lower than 10-3 mN•m-1. This inhomogeneous distribution helps to enhance our understanding of the synergism interaction of the different surfactants.

Key words: dissipative particle dynamics, interfacial density, interfacial efficiency, salt alkylbenzene sulphonate