作者：王英英, 崔杰, 韩媛媛, 姜伟, 孙迎春
关键字：嵌段共聚物, 纳米粒子, 自组装, 平行板受限, Monte Carlo模拟
论文来源：期刊
具体来源：高等学校化学学报, 2016, 37(5), 1010-1017
发表时间：2016年

摘要：采用Monte Carlo模拟方法研究了在平行板受限条件下A15B5非对称两嵌段共聚物与纳米粒子复合物的自组装行为，其中平行板对多组分嵌段A具有吸引相互作用。模拟结果表明，纳米粒子在嵌段共聚物/纳米粒子复合物中的体积分数、嵌段共聚物不同嵌段与纳米粒子间的相互作用均对体系在平行板受限条件下的形貌结构及纳米粒子在体系中的分布有重要影响。当平行板间距一定时，未添加纳米粒子的A15B5非对称两嵌段共聚物中的A嵌段被吸附在平行板上形成层状相，而B嵌段则在平行板中形成六角堆积穿孔层状结构。加入与A嵌段不相容而与B嵌段相容的纳米粒子后，增加了纳米粒子与B嵌段的相容性，有利于保持B嵌段所形成的穿孔结构及孔洞尺寸，同时纳米粒子能够均匀地分散在B相区中。当引入的纳米粒子与A和B两嵌段均不相容时，降低纳米粒子与嵌段共聚物的不相容性同样有利于维持体系的穿孔结构。当纳米粒子与AB两嵌段共聚物间的排斥作用微弱时，即使含量较高，纳米粒子也不聚集，并且均匀分布在A相区与B相区的交界处。

Abstract：The self-assembly of A15B5 asymmetric diblock copolymer/nanoparticle composites under confinement between parallel plates was studied using Monte Carlo simulation, in which the plates have attractive interactions with the A blocks. The simulation results show that the volume fraction of nanoparticles in the composites and the interactions between different blocks and nanoparticles have important effects on the morphology and the distribution of nanoparticles under parallel plate confinement. At a fixed plate distance, the A blocks of the neat A15B5 asymmetric diblock copolymer are adsorbed on the plates to form lamellar phases, while the B blocks form hexagonal packed perforated lamellar structures. Adding nanoparticles that are incompatible with A blocks but compatible with B blocks enhances the compatibility between nanoparticles and B blocks, which helps maintain the perforated structures and hole sizes of the B domains, with nanoparticles uniformly dispersed in the B phase. When nanoparticles are incompatible with both A and B blocks, reducing the incompatibility between nanoparticles and the copolymer also helps maintain the perforated structures. When the repulsion between nanoparticles and the AB diblock copolymer is weak, even at relatively high content, the nanoparticles do not aggregate and are uniformly distributed at the interface between A and B domains.

论文链接：https://doi.org/10.7503/cjcu20150868