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.
出处
《计算物理》
CSCD
北大核心
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
关键词
自洽场
共聚物
自组装
相分离
self-consistent field
copolymers
self-assembly
phase separation
