State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China.
J Phys Chem B. 2010 Dec 16;114(49):16318-28. doi: 10.1021/jp102863w. Epub 2010 Nov 17.
Self-assembly of symmetric ABC three-arm star copolymers confined in cylindrical nanopores is investigated by means of a lattice Monte Carlo simulation method. The dependence of morphologies on the degree of confinement and preference of pore surface is studied systematically. For the symmetric ABC three-arm star copolymers which form polygonal cylinder structures with periodic spacing L(0) in bulk, various novel structures are observed inside the nanopores. In the nanopores with a neutral surface, we find a minimum diameter value (D(min) ≈ L(0)) under which helical arranged droplets are formed; otherwise, parallel polygonal cylinder structures are identified. By adjusting the preference between component A and the pore surfaces, a number of novel structures such as A cylinder + BC single-strand helix and complex multilayer double helices are identified. Additionally, the confinement-induced morphology transition is interpreted by the frustration parameter D/L(0).
通过格子蒙特卡罗模拟方法研究了对称 ABC 三臂星形共聚物在圆柱形纳米孔中的自组装。系统研究了形态对受限程度和孔表面偏好的依赖性。对于在本体中形成具有周期性间距 L(0)的多边形圆柱结构的对称 ABC 三臂星形共聚物，在纳米孔内观察到了各种新颖的结构。在中性表面的纳米孔中，我们发现了一个最小直径值（D(min) ≈ L(0)），在此直径下形成螺旋排列的液滴；否则，会识别出平行的多边形圆柱结构。通过调整组分 A 与孔表面之间的偏好，可以识别出许多新颖的结构，例如 A 圆柱 + BC 单链螺旋和复杂的多层双螺旋。此外，通过受挫参数 D/L(0)解释了受限诱导的形态转变。
