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Self-assembly of (A2B2)5 multigraft block copolymer: the length scale and phase transition
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2019-02-14 , DOI: 10.1016/j.cplett.2019.02.011
Di Zhang , Zhanwei Shao , Weiguo Hu , Yuci Xu

The multigraft copolymer (A2B2)5, consisting of 10 side-chains (A blocks) regularly grafted on the 5 points of a backbone (B blocks), has been theoretically investigated by using self-consistent mean-field theory (SCMFT). We discussed the length scale of self-assembled morphologies and the corresponding phase transition sequences at different factors, including interaction parameter (χ) and volume fraction of A blocks. The free energy of formed nanostructures is a quadratic function of box size, leading to the identification of length scale at different conditions by the minimization of free energy with respect to box size. Moreover, by comparing the free energy between different phases, we observed a phase transition sequences, D→C→G→L→O70→G→C→S →D, which is consistent with that of simple diblock copolymer. However, this transition sequence changes as the variance of χN and fA. Finally, we constructed the phase diagram of this multigraft copolymer with respect to χN and fA, where O70 was found to possess a larger region. Our calculated results show great guidance for the experimental study on the multigraft block copolymer.



中文翻译:

(A 2 B 25多接枝嵌段共聚物的自组装:长度尺度和相变

通过使用自洽平均场理论(SCMFT ),对由10个侧链(A嵌段)规则接枝在骨架(B嵌段)的5个点上组成的多接枝共聚物(A 2 B 25进行了理论研究。 )。我们讨论了自组装形态的长度尺度以及在不同因素下的相应相变序列,包括相互作用参数(χ)和A块的体积分数。形成的纳米结构的自由能是盒子尺寸的二次函数,通过相对于盒子尺寸最小化自由能,导致在不同条件下确定长度尺度。此外,通过比较不同相之间的自由能,我们观察到一个相变序列,D→C→G→L→O 70 →G→C→S→D,这与简单的二嵌段共聚物的相一致。但是,该过渡序列随着χNf A的方差而变化。最后,我们针对χNf A构造了该多接枝共聚物的相图,其中O 70被发现拥有更大的区域。我们的计算结果为多接枝嵌段共聚物的实验研究提供了很好的指导。

更新日期:2019-02-14
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