高等学校化学学报

高等学校化学学报 ›› 2013, Vol. 34 ›› Issue (7): 1667.doi: 10.7503/cjcu20130058

• 物理化学 • 上一篇    下一篇

杂臂星型嵌段共聚物在溶液中自组装形成囊泡结构的计算机模拟

李斌, 朱有亮, 徐丹, 裴汉文, 刘鸿   

  1. 吉林大学理论化学研究所, 理论化学计算国家重点实验室, 长春 130021
  • 收稿日期:2013-01-15 出版日期:2013-07-10 发布日期:2013-06-21
  • 通讯作者: 刘 鸿, 男, 博士, 副教授, 主要从事高分子统计理论及计算机模拟研究. E-mail: hongliu@jlu.edu.cn E-mail:hongliu@jlu.edu.cn
  • 基金资助:

    国家自然科学基金(批准号: 21104025, 51273007)和中国博士后科学基金(批准号: 2012T50286)资助.

Computer Simulation of Vesicle Structure from Self-assembly of Miktoarm Star-like Block Copolymers in Dilute Solution

LI Bin, ZHU You-Liang, XU Dan, PEI Han-Wen, LIU Hong   

  1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, China
  • Received:2013-01-15 Online:2013-07-10 Published:2013-06-21
  • Contact: Hong Liu E-mail:hongliu@jlu.edu.cn

PDF (PC)

被引次数

5

摘要：

利用耗散粒子动力学模拟方法, 研究了杂臂星型嵌段共聚物Am(Bn)2在溶液中自组装形成囊泡的行为. 主要分析了自组装过程、亲水分枝和疏水分枝的长度及分子构型对组装结构的影响. 结果表明, 杂臂星型聚合物在溶液中会自组装形成碟状胶束, 之后弯曲闭合形成囊泡. 当亲水部分的分枝较短时, 易于形成囊泡结构; 在可形成囊泡结构的条件下, 双分子层囊泡膜的厚度随分枝长度的增加而增加. 与构成相近的线型嵌段共聚物相比, 杂臂星型嵌段共聚物更易形成囊泡结构, 且形成的囊泡结构较薄.

关键词: 杂臂星型嵌段共聚物, 自组装, 囊泡, 双层膜

Abstract:

The self-assembly of miktoarm star-like block copolymers in dilute solution was studied with dissipative particle dynamics(DPD) simulations. The pathway of self-assembly, as well as the influence of molecular architecture of the block copolymers on the self-assembly structures were studied in this paper. The miktoarm star-like block copolymers aggregate into disk-like micelles, then the micelles can close to form a vesicle. For the system with short hydrophilic branch, it is easy to form the vesicle, and the thickness of the bilayer membrane of vesicle is larger since the hydrophobic branches of the miktoarm star-like block copolymers are longer. The results show that it is easier for the miktoarm star-like block copolymers to assemble into vesicles than for the corresponding linear diblock copolymers.

Key words: Miktoarm star-like block copolymer, Self-assembly, Vesicle, Bilayer membrane

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