化学学报 ›› 2002, Vol. 60 ›› Issue (2): 241-245. 上一篇    下一篇

研究论文

表面活性剂在溶液中聚集形态的动力学模拟

苑世领;蔡政亭;徐桂英   

  1. 山东大学理论化学研究所.济南(250100);山东大学胶体与界面化学教育部重点 实验室.济南(250100)
  • 发布日期:2002-02-15

Dynamic simulation of aggregation morphology in surfactant solution

Yuan Shiling;Cai Zhengting;Xu Guiying   

  1. Shandong Univ, Inst Theoret Chem.Jinan(250100);Shandong Univ., College of build mater and light ind, Dept of ma.Jinan(250100)
  • Published:2002-02-15

用耗散颗粒动力学模拟方法(DPD)展示了表面活性剂分子在溶液中的聚集形态,用扩散程度表征了表面活性剂溶液中的自组装情况。结果发现:这种分子动力学模拟方法能够直观地得到表面活性剂的聚集形态;随着表面活性剂的浓度增加,聚集形态依次从球状胶束、棒状或虫状胶束,六角状相,向层状相变化。

关键词: 表面活性剂, 胶束溶液, 耗散体系, 形态, 聚集, 动力学, 模拟

The self-assembly process of the surfactant molecules in aqueous solution was investigated using dissipative particles dynamics(DPD) simulation, and the aggregation morphology of the surfactant in solution was discussed by diffusio of the surfactant molecules. We found that DPD simulation can directly look into the assemble process, and with the increase of surfactant concentration, the aggregation morphology are divided into several structures, such as sphere micelle, mixed micelle of sphere and rod, rod micelle, hexagonal phase and lamellar phase.

Key words: SURFACTANTS, MICELLAR SOLUTION, DISSIPATION SYSTEMS, MORPHOLOGY, ACCUMULATE, DYNAMICS, SIMULATION

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