Rod-coil block copolymer aggregates via polymerization-induced self-assembly. 2020

Yisheng Lv, and Liquan Wang, and Fan Liu, and Weisheng Feng, and Jie Wei, and Shaoliang Lin
Shanghai Key Laboratory of Advanced Polymeric Materials, State Key Laboratory of Bioreactor Engineering, Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China. slin@ecust.edu.cn lq_wang@ecust.edu.cn.

Polymerization-induced self-assembly (PISA), incorporating the polymerization with in situ self-assembly, can achieve nano-objects efficiently. However, the cooperative polymerization and self-assembly lead to unclear polymerization kinetics and aggregation behavior, especially for the systems forming rigid chains. Here, we used dissipative particle dynamics simulations with a probability-based reaction model to explore the PISA behavior of rod-coil block copolymer systems. The impact of the length of macromolecular initiators, the targeted length of rigid chains, and the reaction probability on the PISA behavior, including polymerization kinetics and self-assembly, were examined. The difference between PISA and traditional self-assembly was revealed. A comparison with experimental observations shows that the simulation can capture the essential feature of the PISA. The present work provides a comprehensive understanding of rod-coil PISA systems and may provide meaningful information for future experimental research.

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