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  

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

作　　者：李斌[1] 朱有亮[1] 徐丹[1] 裴汉文[1] 刘鸿[1] 

机构地区：[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

出　　处：《高等学校化学学报》2013年第7期1667-1672,共6页Chemical Journal of Chinese Universities

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

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.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.

关 键 词：杂臂星型嵌段共聚物 自组装 囊泡 双层膜 

分 类 号：O641[理学—物理化学] O631[理学—化学]