线性ABC三嵌段共聚物在均聚物C中自组装的自洽平均场模拟

Self-consistent Filed Theory Study on Self-assembly of Linear ABC Triblock Copolymer in Homopolymer C

应用实空间的自洽平均场理论研究了线性ABC三嵌段共聚物在均聚物C中的自组装.模拟结果表明,共聚物在均聚物中形成的分散相主要为核壳结构.通过降低A与C之间的相互作用,可以使核壳结构的成核嵌段发生从嵌段A向嵌段B的转变,并且在转变过程中观察到了多种过渡结构,包括带有凸起表面的盘状结构和柱状结构以及相互缠绕的柱状结构.另外,降低嵌段共聚物中A嵌段在共混体系中的含量有利于形成以B为核的核壳结构.

The self-assembly of linear ABC triblock copolymer in homopolymer C was studied by the realspace self-consistent field theory. The simulative results show that the dispersed phase formed by the triblock copolymer in the homopolymer is mainly the core-shell structure. Decreasing the interaction between species A and C can change the core-forming block from A to B. There are several intermediate morphologies between the two main core-shell structures,including the cylinder with bump surface,the disk with bump surface and the twist cylinders. Moreover,the structure with core-forming block B is favorable at the low content of block A in the mixture.