Abstract Dissipative particle dynamics (DPD) simulations were applied to investigate the solution self-assembly and pH-responsive behavior of hydrophobic DCPD (dicyclopentadiene)-loaded microcapsules from triblock copolymers poly (1,2-ethanediol, homopolymer-b-2-Diethylaminoethylmethacrylate-b-methyl methacrylate) (PEG- b -PDMAEMA- b -PMMA). Results indicate that micelles with longer hydrophilic PEG blocks and shorter hydrophobic PMMA blocks were in favor of encapsulating hydrophobic DCPD. Cross-linking at the core/shell interface generates a chemically bonded network structure in the micelle and leads to a significant decrease of their thermodynamic mobility (i.e., the increase of stability). Both non cross-linked and cross-linked micelles show a good pH-responsive behavior. In particular, cross-linked micelles still have the ability to carry DCPD due to the incomplete dispersion even completely protonation of PDMAEMA, which indicates that the cross-linked micelles could be expected to realize the slow release of encapsulated DCPD agent.

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三嵌段共聚物负载 DCPD 交联胶束的自组装及其 pH 响应行为：耗散粒子动力学研究

摘要 应用耗散粒子动力学 (DPD) 模拟来研究由三嵌段共聚物聚（1,2-乙二醇，均聚物-b-2-甲基丙烯酸二乙氨基乙酯）制成的疏水性 DCPD（双环戊二烯）负载微胶囊的溶液自组装和 pH 响应行为。 b-甲基丙烯酸甲酯）（PEG- b -PDMAEMA- b -PMMA）。结果表明，具有较长亲水性 PEG 嵌段和较短疏水性 PMMA 嵌段的胶束有利于封装疏水性 DCPD。核/壳界面处的交联在胶束中产生化学键合的网络结构，并导致它们的热力学迁移率显着降低（即稳定性增加）。非交联和交联胶束均表现出良好的 pH 响应行为。特别是，