非对称线棒线ABA三嵌段共聚物自组装的自洽场研究  

Self-assembly of Asymmetric Coil-Rod-Coil ABA Triblock Copolymers: Self-consistent Field Study

作　　者：王彪[1] 李云飞[2] 韩向刚[3] 

机构地区：[1]辽宁科技大学理学院,辽宁鞍山114051 [2]沈阳工业大学辽阳校区基础部,辽宁辽阳111003 [3]内蒙古科技大学数理与生物工程学院,内蒙古包头014010

出　　处：《计算物理》2013年第2期251-255,共5页Chinese Journal of Computational Physics

基　　金：国家自然科学基金(11147132)资助项目

摘　　要：利用自洽场方法在三维空间模拟计算非对称型线/棒/线ABA三嵌段共聚物的自组装.在线棒嵌段体积比例相等的条件下,改变两端的线嵌段体积比例,观察到层状、螺旋状、条状和柱状结构.相分离相互作用参数随着一侧线嵌段体积比例增加而逐渐增大,并且当一侧线体积分数为0.05时,相行为最为丰富.随着相互作用参数增大,层状、螺旋和层状结构依次出现,这与相应的线/棒二嵌段共聚物是不同的;层状、螺旋、条状和柱状结构的出现与相应的对称线/棒/线三嵌段共聚物的自组装行为也不同.Self-assembly of asymmetric coil-rod-coil three block copolymers is simulated with self-consistent field theory in three dimensions. As volume proportions of coil and rod block equal each other, with change of volume fractions of aside coil, lamellar, gyroid, strip and cylindrical structures are observed. Interacion parameter at which phase separation occurs increases with volume fractions of aside coil. As volume fraction of aside coil equals 0.05, phase behaves especially rich. With increasing interacion parameter self-assembly structure change from lamellar into gyroid and then lamellar, which is different from coil-rod diblock copolymers. It is found that appearance of lamellar, gyroid, strip and cylindrical structures differs with corresponding coil-rod-coil symmetric tfiblock copolymers.

关 键 词：自洽场 共聚物 自组装 相分离 

分 类 号：O631.1[理学—高分子化学]