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聚合诱导自组装(PISA)是一种在高浓度溶液中可连续大量制备纳米材料的新技术,结合计算模拟方法,研究其动力学过程可强化对PISA的认识和调控.通过耗散粒子动力学(DPD)模拟,研究了ABC三嵌段共聚物的聚合诱导自组装过程.先利用亲溶剂A链段引发B单体聚合,随着疏溶剂B链段的增长,AB二嵌段共聚物可组装并发生聚集体结构的连续转变,由球形胶束→蠕虫状胶束→层状结构→囊泡.再将C单体逐步聚合到AB共聚物上,调控C链段的亲疏溶剂性,可聚合诱导组装或解组装形成不同的ABC三嵌段共聚物聚集体.
Polymerization-induced self-assembly (PISA) is a new technology that can continuously and massively prepare nanomaterials in high concentration solutions. Combining with computational simulation methods, the study of its kinetics can enhance the understanding and regulation of PISA.According to dissipative particle dynamics (DPD) simulation was used to study the polymerization-induced self-assembly of ABC triblock copolymer.At first, the monomer A was used to initiate the polymerization of B monomer. With the increase of the B segment of the solvating agent, AB diblock copolymer Assemble and occur the continuous transformation of aggregate structure, from spherical micelles → wormlike micelles → lamellar structures → vesicles, and then gradually polymerize C monomer to AB copolymer to control the C-segment affinity-solvatism, Polymerization induces assembly or disassembly to form different ABC triblock copolymer aggregates.