Department of Polymer Engineering, Graduate School, Chonnam National University, Gwangju 61186, Korea.
Pritzker School of Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States.
ACS Macro Lett. 2022 Sep 20;11(9):1167-1173. doi: 10.1021/acsmacrolett.2c00310. Epub 2022 Sep 9.
Bottlebrush polymers consist of a linear backbone with densely grafted side chains. They are known to have a range of properties of interest, such as enhanced mechanical strength and rapid self-assembly into large domains, and have attracted attention as promising candidates for applications in photonics, lithography, energy storage, organic optoelectronics, and drug delivery. Here, we present a coarse-grained model of bottlebrush polymers that is able to reproduce their experimentally observed persistence lengths and chain conformations in the melt. The model is then used to investigate the morphologies of this class of materials for various chain architectures and grafting densities.
刷型聚合物由带有密集支链的线性主链组成。众所周知，它们具有一系列引人关注的特性，例如增强的机械强度和快速自组装成大畴，因此作为在光子学、光刻、储能、有机光电和药物输送等领域有应用前景的候选材料而受到关注。在这里，我们提出了一种刷型聚合物的粗粒化模型，该模型能够再现其在熔体中的实验观察到的持久长度和链构象。然后，使用该模型研究了不同链结构和接枝密度下这类材料的形态。
