烷基苯磺酸盐在油水界面行为的介观模拟Mesoscopic Simulation .PDF

2007 年第65 卷 化 学 学 报 Vol. 65, 2007 第24 期, 2803～2808 ACTA CHIMICA SINICA No. 24, 2803～2808 ·研究论文· 烷基苯磺酸盐在油水界面行为的介观模拟 李振泉b 何秀娟a 李 英*,a 马保民a 曹绪龙b 宋新旺b 崔晓红b (a 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) (b 中石化胜利油田地质科学研究院 东营 257015) 摘要 采用耗散颗粒动力学(DPD)方法在介观层次上模拟了表面活性剂烷基苯磺酸盐在油/水界面的排布行为, 考察了 分子结构、浓度、盐度、油相等因素对表面活性剂界面密度和界面效率的影响, 并探讨了利用表面活性剂复配协同效 应提高界面活性的理论机制. 分子模拟给出的分子水平的微观信息为强化采油技术中配方筛选和表面活性剂的有效应 用提供指导. 关键词 耗散颗粒动力学模拟; 界面密度; 界面效率; 烷基苯磺酸盐 Mesoscopic Simulation Study on the Behavior of Salt Alkylbenzene Sulphonate Adsorbed at Oil/Water Interface LI, Zhen-Quanb HE, Xiu-Juana LI, Ying*,a MA, Bao-Mina CAO, Xu-Longb SONG, Xin-Wangb CUI, Xiao-Hongb a ( Key Laboratory for Colloid and Interface Chemistry of State Education Ministry, Shandong University, Jinan 250100) (b Geological Scientific Research Institute, Shengli Oilfield, Dongying 257015) Abstract 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 surfac- tants interfacial concentration results in the increase of its interfacial density before reaching a