Acta Chimica Sinica ›› 2011, Vol. 69 ›› Issue (09): 1047-1052. Previous Articles     Next Articles

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钙离子对4-(5 -十六烷基)苯磺酸钠在气/液表面聚集行为的影响


  1. (1中国石化胜利油田分公司 东营 257015)
    (2山东大学胶体与界面化学教育部重点实验室 济南 250100)
  • 收稿日期:2010-06-29 修回日期:2010-11-15 出版日期:2011-05-14 发布日期:2011-01-09
  • 通讯作者: 徐桂英;

Effect of Ca2 on the Aggregation Behavior of 4-(5 -16 alkyl) Benzene Sulfonate at the Gas/Liquid Surface

Sun Huanquan1 Zhao Taotao2 Cao Xulong1 Yuan Shiling2 Wang Qiwei1 Li Xuesong1 Xu Guiying*,2   

  1. (1 Shengli Oilfield Ltd. Co., Sinopec, Dongying 257015)
    (2 Key Laboratory of Colloid and Interface Chemistry, Ministry of Education, Shandong University, Jinan 250100)
  • Received:2010-06-29 Revised:2010-11-15 Online:2011-05-14 Published:2011-01-09

The aggregation structure of surfactant 4-(5 -16 alkyl) benzene sulfonate (5C16) at the gas/liquid surface was investigated by molecular dynamics simulation. The simulated results showed that with the addition of CaCl2 to the solution, Ca2+ will replace the position of Na and bind with the polar head at the surface. In the aggregation structure, two types of angles between two alkyl chains of surfactant molecule were found, and the ratio of angles changes from 1.9∶1 to 4.0∶1 with the addition of CaCl2. The mean square displacement data show that there are different types of water around the polar head, and water molecules around the headgroup have weak diffusion.

Key words: 4-(5 -16 alkyl) benzene sulfonate, air/liquid surface, molecular dynamics simulation, Ca2+