Non-lamellae structures of coil-semiflexible diblock copolymers
Non-lamellae structures of coil-semiflexible diblock copolymers
复制标题
线圈-半柔性二嵌段共聚物的非层状结构
DOI：
10.1039/c2sm26758f
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发表时间：
2013-01-01
期刊：
影响因子：
3.4
通讯作者：
Yang, Yuliang
中科院分区：
文献类型：
--
作者：
Gao, Jie;Tang, Ping;Yang, Yuliang
基于自洽场理论（SCFT）研究了螺旋-半柔性嵌段共聚物在二维位置空间中的自组装行为，半柔性嵌段采用蠕虫链模型，螺旋嵌段采用高斯链模型.采用一种高精度、高效率的算子分裂伪谱算法来科普蠕虫链传播子的修正扩散方程的计算复杂性。在各向异性Maier-Saupe取向相互作用和各向同性Flory-Huggins相互作用的框架内，构建了线圈体积分数为0.6 ~ 0.8的线圈-半柔性嵌段共聚物的相图，包括各向同性、近晶-C和附加的非层状结构.在相对较高的线圈分数和较强的取向相互作用下，发现了由半柔性块形成的主要取向垂直于其最近邻居的半球形包装圆盘和菱形圆盘。我们还研究了链刚性对螺旋半柔性嵌段共聚物相行为的影响。
We investigate the self-assembly of coil-semiflexible block copolymers in 2D positional space by using self-consistent field theory (SCFT) based on the wormlike chain model for the semiflexible block and the Gaussian chain model for the coil block. A highly accurate and efficient operator splitting pseudospectral algorithm is adopted to cope with the computational intricacy of solving modified diffusion equations for the propagators of wormlike chains. Within the framework of anisotropic Maier-Saupe orientational interactions and isotropic Flory-Huggins interactions, the phase diagram including isotropic, smectic-C, and further appended non-lamella structures is constructed for the coil-semiflexible block copolymers in the region of coil volume fractions from 0.6 to 0.8. Hexagonal packed pucks and rhombic pucks formed by the semiflexible block with major orientation perpendicular to their nearest neighbors in the latter are discovered at relatively high coil fractions and strong orientational interactions. We also study the influence of chain rigidity on the phase behavior of coil-semiflexible block copolymers.