理论研究两亲性三嵌段共聚物在稀溶液中的微相结构

Microstructures Assembled of Amphiphilic Triblock Copolymer by the Real-Space Self-Consistent Field Theory

在此前本实验室工作的基础上借助采用实空间高分子自洽平均场理论在三维空间里研究了稀溶液中两亲性三嵌段共聚物的微相结构,模拟得到复杂形态的胶束结构,如球形胶束,棒状胶束,碗状胶束。通过改变分子作用参数的值依次观察到球状相,柱状相,碗状相。通过热力学分析表明,选择合适的分子作用参数,在稀溶液中不同胶束形态的形成强烈依赖于分子作用参数。通过模拟得到的结果可以发现不同形态相结构的形成对分子作用参数的变化的依赖。

We studied the complex microstructures assembled by amphiphilic triblock copolymer in dilute solution by the application of real-space self-consistent field theory in three-dimensional space.Different micelles were produced by changing the value of some parameters.The special bowlike micelle structure was confirmed by the experiment work of Yuan J.The different micelles,such as sphere-like micelle,rod-like micelle and scoop-like micelle were produced.The simulations show that micelle is stable structure when selecting proper parameters in dilute solution.The morphologies of micelle depend deeply on the molecular parameters.The different molecular parameters result in different structures of initial nucleus.And we find that the interaction parameters play an important role in determining the final patterns.