由聚氧乙烯和聚4'''-酰胺基对四联苯-2,6-二甲酰对苯二胺构筑的OAO形三元嵌段共聚物在N、N-二甲基甲酰胺中的自组装结构模拟  

Simulation of Self-assembly of OAO-type Triblock Copolymers Constructed from Polyethylene oxide and Poly (p-phenylenediamine-4'''-aminocarbonyl-alt-2,6-diformyl quaterphenyl) in N,N-Dimethylformamide Using Dissipative Particle Dynamics Method

作　　者：吴红枚[1] 李永成[1] 赵耀[1] 王孟[1] 王榆元[1] Wu Hongmei Li Yongcheng Zhao Yao Wang Meng Wang(Department of Polymer Science and Engineering, College of Chemistry and Chemical Engineering, University of South, Hengyang 421001, China)

机构地区：[1]南华大学化学化工学院高分子材料与工程系,湖南衡阳421001

出　　处：《山东化工》2017年第6期1-4,共4页Shandong Chemical Industry

基　　金：国家自然科学基资助项目(21104031)

摘　　要：利用耗散粒子动力学模拟方法,研究了由拉胀聚合物聚4'''-酰胺基对四联苯-2,6-二甲酰对苯二胺(A)与聚氧乙烯(PEO)组成的OAO形三元嵌段共聚物在溶剂N、N-二甲基甲酰胺(DMF)中的自组装行为,探究了共聚物浓度和链段A的长度对三元嵌段共聚物自组装结构的影响。结果表明,由聚4'''-酰胺基对四联苯-2,6-二甲酰对苯二胺(A)与聚氧乙烯(PEO)构筑的线型嵌段共聚物在溶剂N、N-二甲基甲酰胺(DMF)中的自组装将形成形态各异的球状、柱状、毛刷型以及"球刺"状胶束等结构;随着共聚物浓度的增加,球状胶束结构消失,逐渐演变为柱状以及毛刷型结构;随着链段A长度的增加,共聚物形成的球状胶束结构慢慢转变为"球刺"状胶束。Dissipative particle dynamics（DPD） simulation was employed to examine the self-assembly behavior of linear triblock copolymers which are constructed of poly（ethylene oxide）（PEO） and Poly（p-phenylenediamine-4＇＇＇-aminocarbonyl-alt-2,6-diformyl quaterphenyl）（A） in N,N-Dimethylformamide（DMF）. In this paper,we focused on the relationships between the evolution of self-assembly structure of those copolymers in DMF with increasing of the concentration of copolymers and the length of block A,respectively. Simulations show that the self-assembly of those linear block copolymers in DMF can form various structures with different shapes such as spherical,cylindrical,brush type,and spiny ball shape micelles. With increasing concentration of copolymer,the self assembly structure will develop from spherical micelle to cylindrical micelle and then turn into brush type micelle. While with increasing length of block A,the self assembly structure will develop from spherical micelle to spiny ball shape micelle under certain concentration of copolymer.

关 键 词：耗散粒子动力学 聚4′′′-酰胺基对四联苯-2 6-二甲酰对苯二胺 聚氧乙烯 嵌段共聚物 自组装 

分 类 号：O631.4[理学—高分子化学]