Gemini表面活性剂溶液相关性质的Monte Carlo模拟

Monte Carlo Simulation for Relative Characters of Gemini Surfactants

摘要: 用Monte Carlo方法模拟了Gemini表面活性剂溶液形成胶束的情况。考察了链长、分子间相互作用能、联接基团对表面活性剂的聚集能力、聚集形态的影响。模拟结果显示:尾链越长,所对应的临界胶束浓度(CMC)越小、和尾链的对称性无关、不同分子间的交换能通过对有效交换能的影响来改变溶液的CMC值。Gemini表面活性剂分子在溶液中自聚集生长成胶束,胶束的聚集数和分子本身的特性相关。

Abstract: Monte Carlo simulation method was employed to study the self-aggregation of Gemini surfactants in a selective solvent.The effects of the chain length of surfactant,interaction energy between solvent with surfactant and space group on the aggregation ability of surfactant and configuration of(micelles) were investigated.Results show that the longer the tails,the lower the corresponding critical micelles concentration(CMC) is,and CMC has nothing to do with tails' symmetry.The interaction energy(between) atoms...