受限壁的选择性对软受限下星形三嵌段共聚物形貌的影响

基于嵌段共聚物在软受限条件下能够自组装形成很多有序结构，在催化、电子器件、光学传感等领域有广泛的应用价值，目前只对线性三嵌段共聚物在软受限下的自组装形貌做了分析，对星形三嵌段共聚物在软受限下的自组装行为还未有一个统一的定论.在这项研究中，应用模拟退火来研究ABC星形三嵌段共聚物在软受限下的自组装行为，嵌段与溶剂没有选择性下(中性壁),通过调整三个嵌段(f_A、f_B和f_C)的体积分数来构建相图，我们的模拟预测了各种独特的自组装纳米结构，包括薄片+球形、圆柱状，穿孔层，薄片+圆柱体，核壳补丁.然后通过改变嵌段与溶剂的选择性预测了链长度比为1:x:1的共聚物粒子形貌.通过计算接触数、均方根末端距与平均链长的比值以及平均键长随x的变化，验证了形貌转变机制.

Effect of the selectivity of confined wall on the morphology of star triblock copolymers under soft confinement

Based on the fact that block copolymers can self-assemble to form many ordered structures under soft confinement conditions, they are widely used in catalysis, electronic devices, optical sensing and other fields. At present, only the self-assembly morphology of linear triblock copolymers under soft confinement has been analyzed. There is no unified conclusion on the self-assembly behavior of copolymers under soft confinement. Based on this background, this paper focuses on studying the morphology of triblock copolymer particles under soft confinement. A phase diagram is constructed by tuning the volume fractions of the three blocks (fA, fB, and fC). Our simulations predicted various unique self-assembled nanostructures, including lamella + sphere, cylinder, perforated layer, lamella + cylinder, core-shell patch. By changing the selectivity between the block and the solvent, the morphology transition of the copolymer with the chain length ratio of 1: x: 1 was predicted. The morphology transition mechanism was verified by calculating the changes with x for the ratio of to the average length(L), the average bond length of B block chains, and their contact number.