混合胶团参数的计算机模拟

Computer Simulation of Mixed Micelle Parameters

根据二元混合胶困的基本方程，利用计算机对其参数进行模拟．（１）在已知纯表面活性剂１和２以及混合胶团的临界胶团浓度（Ｃ１、Ｃ２、Ｃ１２）的条件下，能很容易地计算表面活性剂１在混合胶团中的摩尔分数和分子相互作用参数β．（２）在已知Ｃ１、Ｃ２和β值的条件下，能方便地模拟前人的工作，确定该二元表面活性剂体系是否存在协同效应，并考察所得参数之间的关系．

Based on the basic equations of binary mixed micelle, their parameters were simulated by computer. Firstly, if critical micelle concentrations (c1,c2 and c12) of pure surfactants 1 and 2, and mised surfactant were given, mole fraction (x) of surfactant 1 in the mixed micelle of surfactants 1 and 2 and molecular interaction parameter (β) could be computed easily. Secondly,simulating 'originally experimented data', determining wheter the binary mixture of surfacctants exists synergism, and inspecting the relationships among parameters could be done conveniently by given c1,C2, and molecular niteraction parameter.