Precise Mesoscopic Model Providing Insights into Polymerization-Induced Self-Assembly
Precise Mesoscopic Model Providing Insights into Polymerization-Induced Self-Assembly
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精确的介观模型为聚合诱导的自组装提供了见解
DOI：
10.1021/acs.langmuir.0c01404
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发表时间：
2020
期刊：
影响因子：
3.9
通讯作者：
Zhang Jun
中科院分区：
文献类型：
--
作者：
Wang Junfeng;Fang Timing;Li Jiawei;Yan Youguo;Li Zhen;Zhang Jun
共聚物的自组装是获得各种纳米结构的重要途径。聚合诱导自组装(PISA)是近年来发展起来的一种强有力的共聚自组装策略。然而，一些研究人员报道了用相同的共聚体系制备的PISA自组装和传统的共聚自组装不同的形态。在这项工作中，我们发展了一个精确的介观耗散粒子动力学(DPD)模型来揭示聚(4-乙烯基吡啶)-b-聚苯乙烯(P4VP-b-PS)的PISA。结果表明，P4Vp-b-PS纳米管可以通过TSA法而不是PISA法得到，这与文献报道的实验结果一致。通过详细研究PISA在特定溶剂和单体条件下以及不同聚合速率下的动力学，我们认为过量单体与多步PISA相结合有助于增强PISA的形态调节能力，同时保持较高的固含量。本研究的结果不仅为研究共聚物自组装提供了一种精确的建模方法，而且为未来优化PISA策略的研究提供了合理的指导。
Self-assembly of copolymer is an important approach to obtain multifarious nanostructures. Polymerization-induced self-assembly (PISA) is a recently developed and powerful copolymer self-assembly strategy. However, some researchers have reported a different morphology prepared by PISA and the traditional copolymer self-assembly using the same copolymer system. In this work, to explore the mystery, we develop a precise mesoscopic dissipative particle dynamics (DPD) model to reveal insights into the PISA of poly(4-vinylpyridine)-b-polystyrene (P4VP-b-PS). It is observed that P4VP-b-PS nanotubes can be obtained via TSA rather than PISA, which is consistent with reported experimental results. By carefully investigating the dynamics of PISA under specific solvent and monomer conditions and different polymerization rates, we propose that combining excessive monomers with multistep PISA can help to enhance the morphological regulation ability of PISA and retain a high solid content simultaneously. The findings in this study not only provide a precise modeling method for investigating copolymer self-assembly but also serve as a rational guide for future studies toward optimization of the PISA strategy.