分子模拟方法在双子表面活性剂溶液性质研究中的应用

doi:10.13218/j.cnki.csdc.2015.12.010

摘要/Abstract

摘要： 综述了国内外应用分子模拟方法对双子表面活性剂溶液性质的研究成果,介绍了通过模拟计算得到的双子表面活性剂在溶液中的聚集过程和机理,平衡时聚集体的形态、结构和转变过程,双子表面活性剂与其他分子的协同效应以及各种因素的影响;此外,还介绍了双子表面活性剂在相界面上的性质等;最后指出了用分子模拟方法研究双子表面活性剂溶液性质的应用前景。

关键词: 双子表面活性剂, 分子模拟, 连接基, 聚集性质

Abstract: Research work achievements with respect to solution properties of Gemini surfactant with molecular simulation method were summarized.The aggregation process and mechanism,the morphology of micelles in equilibrium,phase transition process,the synergistic effect between Gemini surfactant and other molecules as well as various influencing factors of the Gemini surfactants found via molecular simulation calculation method were introduced.In addition,the interfacial properties of Gemini surfactants were also presented.Outlooks for the application of molecular simulation method in this field were prospected.

Key words: Gemini surfactant, molecular simulation, linking spacer group, aggregation properties

中图分类号:

TQ423

李双阳, 闵长婷, 曹康玲. 分子模拟方法在双子表面活性剂溶液性质研究中的应用[J]. 日用化学工业, 2015, 45(12): 706-709.

LI Shuang-yang, MIN Chang-ting, CAO Kang-ling. Application of molecular simulation method in research work with respect to solution properties of Gemini surfactants[J]. China Surfactant Detergent & Cosmetics, 2015, 45(12): 706-709.

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