AB型嵌段共聚物在薄膜受限下形成穿孔层结构的理论研究
Theoretical Study on the Formation Perforated Lamella Phase of AB-Type Block Copolymer under Confined in Thin Film
DOI: 10.12677/MP.2022.123007, PDF,    国家自然科学基金支持
作者: 王 锋, 陈 卡, 潘宇超, 刘美娇：浙江理工大学化学系，浙江 杭州
关键词: 嵌段共聚物；自组装；自洽场理论；受限；穿孔层结构；Block Copolymer； Self-Assembly； Self-Consistent Field Theory； Confinement； Perforated Lamella
摘要: 采用自洽场理论方法研究了平行板受限下AB型嵌段共聚物的分子链拓扑结构对自组装行为的影响。首先设计了AmB多臂星型嵌段共聚物，研究臂数m对穿孔结构(PL)稳定性的影响，通过构建m = 1，2和4关于A组分的体积分数(fA)和受限尺寸(D)的相图，发现臂数m的增加有利于拓宽PL结构在fA上的稳定区间；但当m > 2时，区间增加的不是很明显。然后固定m = 2，通过改变其中一个A嵌段在B嵌段上的连接位置，用参数τ来调控，即设计ABAT型嵌段共聚物，来研究τ对PL结构稳定性的影响。通过构建0 < τ ≤ 1时关于fA~D的相图，得出有利于PL结构稳定的τ值，并通过分析不同τ时PL结构的自由能贡献、链段分布和结构特征尺寸等的变化规律，得出A嵌段的自由度受其在B嵌段上的连接点位置的影响，其在相畴中的空间分布直接影响到PL结构的稳定性。该研究为相关实验上制备穿孔结构提供理论指导。
Abstract: The effect of chain topology on the self-assembly behavior of AB-type block copolymers confined in thin film was studied using the self-consistent field theory method (SCFT). Firstly, the AmB miktoarm star copolymer was designed and the effect of the number of arms m on the stability of per-forated lamella (PL) structure was investigated by constructing the phase diagrams for m = 1, 2 and 4 with the volume fraction (fA) and size of confinement (D). The increasing m is beneficial to expanding the stable phase region of the PL structure, while it increases not very obviously when m > 2. Then fix m = 2 and the ABAT-type block copolymer was designed by regulating the tethering point of one A block on the B block, which is characterized by the parameter τ. The favorable τ for the stability of the PL phase is examined by constructed the phase diagram of fA~D, where the free energy contributions, segment distribution and feature size of the PL structure under different τ are analyzed. It indicates that the degree of freedom of the A block is affected by the tethering point on the B block, and its spatial distribution in the domain affects the stability of the PL structure. This study provides theoretical guidance for the preparation of perforated structures in related experiments.
文章引用：王锋, 陈卡, 潘宇超, 刘美娇. AB型嵌段共聚物在薄膜受限下形成穿孔层结构的理论研究[J]. 现代物理, 2022, 12(3): 69-78. https://doi.org/10.12677/MP.2022.123007

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