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首页> 外文期刊>Physical chemistry chemical physics: PCCP >The self-assembly behavior of polymer brushes induced by the orientational ordering of rod backbones: a dissipative particle dynamics study
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The self-assembly behavior of polymer brushes induced by the orientational ordering of rod backbones: a dissipative particle dynamics study

机译：杆骨架定义排序诱导的聚合物刷的自组装行为：耗散粒子动力学研究

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摘要

Dissipative particle dynamics (DPD) simulations were used to study the self-assembly behavior of polymer brushes with rod-coil backbones, polycaprolactone-b-poly(2-(dimethylamino)ethyl methacrylate)-grafted cellulose nanocrystals (CNC-g-PCL-b-PDMAEMA), and to further examine the influences of polymer concentration, rod-block proportion and distribution of backbones and the grafting density of side chains on the resulting aggregate conformations. We proposed the "rod-coil competitive mechanism" for the self-assembly of polymer brushes with rod-coil backbones. The results indicated that the micellar structures mainly depend on the relative intensity between the orientational ordering of rod blocks and the disordered packing of the flexible blocks. The cylindrical micelles were formed when the orientational order of the rod blocks predominates, while the disorder of the flexible blocks contributes to the formation of spherical micelles. We further proved that the competitive relationship is affected by polymer concentration, rod-block proportion and distribution of backbones and the grafting density of side chains. The increasing rod-block proportion, the rod-coil-rod backbones and the asymmetric grafting side chains are beneficial to the orientation order of the brush-like polymer in the self-assembly process, thereby inducing the formation of the cylindrical micelles. The self-assembly mechanism of the rod-coil copolymer proposed in this study provides guidance and a theoretical basis for the design and regulation of novel and complex polymer aggregates.
机译：耗散粒子动力学（DPD）模拟用于研究具有杆线圈骨架的聚合物刷的自组装行为，聚己内酯-B-聚（2-（二甲基氨基）乙基丙烯酸甲酯） - 移植纤维素纳米晶体（CNC-G-PCL- B-PDMAEMA），并进一步检查聚合物浓度，杆嵌段比例和骨干的分布以及侧链的移植密度对所得的聚集体构象的影响。我们提出了具有杆线圈骨架的聚合物刷的自组装的“杆线圈竞争机制”。结果表明，胶束结构主要取决于杆块的定向排序与柔性块的无序包装之间的相对强度。当杆块的定义阶主要阶数主要阶数形成圆柱形胶束，而柔性块的紊乱有助于形成球形胶束。我们进一步证明，竞争关系受到聚合物浓度，杆块比例和骨干的分布以及侧链的移植密度的影响。增加的杆块比例，杆线圈杆骨架和不对称接枝侧链是有益于自组装过程中刷状聚合物的方向阶的方向阶，从而诱导圆柱形胶束的形成。本研究中提出的杆线圈共聚物的自组装机理为新颖和复合聚合物聚集体的设计和调节提供了指导和理论依据。

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    Zhang Jing; Xu Jianchang; Wen Liyang; Zhang Fusheng; Zhang Lijuan;

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    South China Univ Technol Sch Chem &

    Chem Engn Guangzhou 510640 Peoples R China;

    South China Univ Technol Sch Chem &

    Chem Engn Guangzhou 510640 Peoples R China;

    South China Univ Technol Sch Chem &

    Chem Engn Guangzhou 510640 Peoples R China;

    South China Univ Technol Sch Chem &

    Chem Engn Guangzhou 510640 Peoples R China;

    South China Univ Technol Sch Chem &

    Chem Engn Guangzhou 510640 Peoples R China;

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  • 正文语种 eng
  • 中图分类 物理学;化学;
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