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采用模拟退火方法研究了一端锚定在平面上的非对称ABA型三嵌段共聚物在选择性溶剂中的自组装形态.针对溶剂对A单体为不良、对B单体为良溶剂的体系,在不同B嵌段长度下,研究了锚定A嵌段和末端A嵌段长度的非对称性对溶液中共聚物聚集体形态的影响;并构建了不同体系的相图.研究表明锚定三嵌段共聚物可自组装形成半球状、蠕虫状、条状、连通条状和孔层状等单层A聚集体和半球状-球状、蠕虫状-球状、和条状-球状等双层A聚集体结构.增加锚定A嵌段的长度有利于单层A聚集体形态的形成;而增加末端A嵌段的长度或亲溶剂B嵌段的长度则有利于双层A聚集体形态的形成.通过对单体与溶剂间接触数的统计分析,对体系形态的转变进行了解释;模拟结果与文献进行了比较.
The self-assembled morphology of asymmetric ABA-type triblock copolymer anchored on the plane in a selective solvent was studied by means of simulated annealing method. Aiming at the self-assembly of solvent A to monomer A and solvent B to monomer B , The effects of the asymmetry of the A block length and the A block length on the morphology of copolymer aggregates in solution were studied under different B block lengths and the phase diagrams of different systems were constructed. Triblock copolymers can be self-assembled to form hemispherical, wormlike, striped, continuous and single-layered aggregates such as streaks and pores, and bilayers such as hemispherical-globular, wormlike-globular, A aggregate structure. Increasing the length of the anchored A block favors the formation of monolayer A aggregates while increasing the length of the terminal A block or the length of the B block of pro-solvent favors the morphology of the bilayer A aggregate The morphological transition of the system was explained by the statistical analysis of the number of contact between the monomer and the solvent. The simulation results were compared with the literature.