【作者】 曾祥泽； 李斌； 黄旭辉； 吕中元；

【Author】 Xiangze Zeng;Bin Li;Xuhui Huang;Zhong-Yuan Lu;Department of Chemistry,The Hong Kong University of Science and Technology;State Key Laboratory of Supramolecular Structure and Materials,Institute of Theoretical Chemistry,Jilin University;

【机构】 香港科技大学； 吉林大学理论化学研究所；

【摘要】 在稀溶液中,两亲性嵌段共聚物可以自组装形成胶束及囊泡等多样的有序结构。合理调控嵌段共聚物的结构参数(如分子拓扑结构、链长比例等)以及热力学控制参数(如亲疏水嵌段相互作用、溶剂的选择性等),可以优化嵌段共聚物的自组装结构及其路径。我们结合布朗动力学模拟与动力学网络模型,分析了星形嵌段共聚物的主要自组装结构及自组装路径(如Fig.1所示),并建议了调控不同自组装路径的方式。研究结果表明,利用动力学网络模型分析动力学模拟轨迹,可以更清晰地描述自组装稳态结构的寿命与自组装路径。更多还原

【Abstract】 Block copolymers can self-assemble into various ordered structures in dilute solution.Fine-tuning block copolymer structural and thermodynamic properties can optimize the self-assembly structures and the corresponding transition pathways.We construct kinetic network model based on Brownian dynamics simulations on the self-assembly of star-like block copolymers and analyze the self-assembly pathways.By rational design the hydrophibicity of the copolymer,we can successfully tune the transition time and then alter the dominant self-assembly pathways.Kinetic network models combined with coarse-grained molecular dynamics simulations provide us a powerful tool to elucidate the self-assembly structures and the corresponding transition pathways.更多还原