AB/CD嵌段共聚物共混体系多尺度结构的自洽场模拟

本文采用自洽场理论模拟了AB/CD嵌段共聚物共混体系的自组装. 改变组分B与D间的相互作用, 得到了不同空间尺度上的两种层状结构和只能在非对称组成情况才能得到的核壳结构. 结果表明, 这种多尺度结构的形成是因为BD间排斥作用的减弱或者吸引 作用的增强导致二者间相互融合程度的增加. 当BD间的相互融合程度与AB和CD间的相互融合程度相当时, 体系会发生宏观层状与微观层状结构间的转变. 此外, 本文还从能量角度揭示了体系发生这种结构转变的深层次原因. 关键词： 嵌段共聚物 共混 多尺度结构 自洽场

Self-consistent field simulation of hierarchical self-assembly structures from AB/CD block copolymer blends

Using the self-consistent mean field theory, we have studied the self-assembly behavior of AB/CD block copolymers blend. Simulation results show that the hierarchical structural transitions from lamellar structures on different spatial scales to core-shell structure were caused by the increase of the fusion degree between components B and D. When the mutual fusion degrees between components B and D, between A and B, and between C and D are equal, the structure will change from macro-lamellar to micro-lamellar. In addition, the variation of free energy with the interaction between B and D were also calculated to deepen the understanding about the structural transition.
Keywords： block copolymer blends hierarchical structure self-consistent field