【作者】 何沫沙； 方云；

【Author】 HE Mosha,FANG Yun (School of Chemical and Material Engineering, Southern Yangtze University, Wuxi 214036, P. R. China)

【机构】 江南大学化学与材料工程学院；

【摘要】 <正> 建立了直观表示表面活性剂双亲结构的火柴棍模型,在二维格子中通过Monte Carlo方法模拟了表面活性剂H1T12在溶液中的聚集行为。用溶液中表面活性剂的单体分子浓度与溶液中表面活性剂分子的总浓度之比作为判据,判断表面活性剂在溶液中的自组装情况和临界胶束浓度cmc。模拟结果直观地体现了表面活性剂分子的总浓度对其在水溶液中所形成的胶束形态的影响。根据表面活性剂分子同系物回转面积的倍数之比更多还原

【Abstract】 Two-dimensional lattice-based Monte Carlo simulation of amphiphile systems of surfactant A1B12 shaped as the match model is investigated, in which head indicates the hydrophilic group, while the tail indicates the hydrophobic group. Then the simulated aggregation behavior of the surfactant H1T12 in aqueous solution is studied where H1 represents a single hydrophilic head and T12 stands for a C12 alkyl tail. The proportion of free monomer concentration in total surfactant concentration can illustrates the self-assembly behavor of the surfactant in aqueous solution and determines the simulated cmc. The influences of the total surfactant concentration on the configuration of the micelles are reflected visually in the simulation. According to the radius of gyration of H1T12, cmcs of homolog surfactants H1T10 and H1T14 are computed by the same method as H1T12 with different scale of the lattice on which the simulation is based. The simulated cmcs are in reasonable agreement with the experimental regulation 1g cmc=An+B as the literature discribed, where n is the chain length of surfactant hydrophobic tail, A and B is regressive constants.更多还原