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    赵建国, 王克亮, 胡月霞, 黄碧纯, 叶代启, 周广英. PEO-PPO-PEO三嵌段共聚物自组装行为的耗散粒子动力学模拟[J]. 功能高分子学报, 2012, 25(2).
    引用本文: 赵建国, 王克亮, 胡月霞, 黄碧纯, 叶代启, 周广英. PEO-PPO-PEO三嵌段共聚物自组装行为的耗散粒子动力学模拟[J]. 功能高分子学报, 2012, 25(2).
    ZHAO Jianguo, WANG Keliang, HU Yuexia, HUANG Bichun, YE Daiqi, ZHOU Guangying. Dissipative Particle Dynamics Simulation on Self-assembly Behavior of Triblock Copolymer[J]. Journal of Functional Polymers, 2012, 25(2).
    Citation: ZHAO Jianguo, WANG Keliang, HU Yuexia, HUANG Bichun, YE Daiqi, ZHOU Guangying. Dissipative Particle Dynamics Simulation on Self-assembly Behavior of Triblock Copolymer[J]. Journal of Functional Polymers, 2012, 25(2).

    PEO-PPO-PEO三嵌段共聚物自组装行为的耗散粒子动力学模拟

    Dissipative Particle Dynamics Simulation on Self-assembly Behavior of Triblock Copolymer

    • 摘要: 采用耗散粒子动力学方法(DPD),模拟了聚氧乙烯聚氧丙烯聚氧乙烯(PEO-PPO-PEO)三嵌段共聚物在乙醇溶液中的自组装行为,考察了该共聚物的体积分数和聚氧乙烯(PEO)嵌段链长对介观形貌的影响。当F88(PEO104-PPO39-PEO104 )体积分数为20%时,胶束由初始的均衡分散态逐渐聚合,最终形成PPO为核、PEO为壳的平衡态柱状团聚体。改变共聚物的体积分数和PEO链的长度,会形成不同的介观结构,如:球状、柱状、立体网络、层状和穿孔状结构等。结果表明,DPD方法是研究三嵌段共聚物自组装行为和介观结构形成机理的有效工具,对合成具有特定结构性能的材料有一定的指导意义。

       

      Abstract: Dissipative particle dynamics(DPD) method was applied to simulate the selfassembly behaviors of PEO-PPO-PEO triblock copolymer in ethanol solution. The impact of volume fraction and PEO chain length on its mesoscopic morphology were investigated. In the ethanol solution with φF88=20%, the micelle changed from balanced disperse phase to regular transient phase as time went. Finally, a balanced cylindrical aggregate was formed using PEO as the core, PPO as the shell. Different kinds of mesoscopic aggregation types were observed with the change of volume fraction and the size of PEO chain length, for example like: spherical, cylindrical, threedimensional network, lamellar and perforatedlike structure. Results show that DPD method is an effective tool to study the mechanism of selfassembly of triblock copolymer and the formation of mesoscopic structure. It also plays important significance on the synthesis of special materials with desired properties.

       

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