化学学报 ›› 2010, Vol. 68 ›› Issue (02): 131-135. 上一篇    下一篇

研究论文

泡沫液膜的分子动力学模拟及泡沫析液机制的研究

胡晓莹1,李英*,1,张辉1,何秀娟1,薛玉志2,王萍2,杨景利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胜利油田钻井工艺研究院油化所 东营 257000)
  • 收稿日期:2009-05-08 修回日期:2009-08-16 出版日期:2010-01-28 发布日期:2010-03-17
  • 通讯作者: 李英 E-mail:yingli@sdu.edu.cn
  • 基金资助:

    国家自然科学基金(批准号:60876056);中石化攻关项目“川东北气体泡沫钻井流体技术研究”

Molecular Dynamics Simulation of Foam Films and Analysis of Foam Drainage Mechanism

Hu Xiaoying1 Li Ying*,1 Zhang Hui1 He Xiujuan1 Xue Yuzhi2 Wang Ping2 Yang Jingli2   

  1. (1 Key Laboratory for Colloid and Interface Chemistry, Ministry of Education, Shandong University, Jinan 250100)
    (2 Drilling Technology Research Institute, Department of Oilfield chemistry, Shengli Oilfield, Dongying 257000)
  • Received:2009-05-08 Revised:2009-08-16 Online:2010-01-28 Published:2010-03-17
  • Contact: Ying Li E-mail:yingli@sdu.edu.cn

采用分子动力学MD方法模拟表面活性剂稳定的泡沫液膜, 通过分析表面活性剂头基与水分子的径向分布函数, 分析泡沫液膜中水分子的状态, 对结合水、捕获水进行定量; 采用电导法测定不同表面活性剂稳定的泡沫的析液曲线, 结合分子模拟结果, 分析泡沫析液的微观机制, 建立泡沫析液量随时间变化的物理模型, 给出了模型参数的物理意义.

关键词: 泡沫液膜, 析液机制, 分子模拟, 表面活性剂

Molecular dynamic simulations were executed to study the foam films stabilized by surfactants. According to the analysis of the radial distribution function (RDF) of the water molecules around the heads of surfactants, the state of water molecules in the foam film could be investigated. Electric conductivity method was adopted to determine the drainage process of foam stabilized by different kinds of surfactants. According to the experimental foam drainage curve, combined with molecular dynamics results, drainage mechanism of the foam film and a physical model of the time-dependent liquid volume contained in foam films, as well as the physical meaning of parameters in this model were discussed.

Key words: foam film, drainage mechanism, molecular simulation, surfactant

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