Song Jianhui, Li Yunqi, Huang Qingrong, Shi Tongfei, An Lijia
State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, Peoples' Republic of China.
J Chem Phys. 2007 Sep 7;127(9):094903. doi: 10.1063/1.2764071.
The effects of blend composition on morphology, order-disorder transition (ODT), and chain conformation of symmetric ABA/AB copolymer blends confined between two neutral hard walls have been investigated by lattice Monte Carlo simulation. Only lamellar structure is observed in all the simulation morphologies under thermodynamic equilibrium state, which is supported by theoretical prediction. When the composition of AB diblock copolymer (phi) increases, both lamellar spacing and the corresponding ODT temperature increase, which can be attributed to the variation of conformation distribution of the diblock and the triblock copolymer chains. In addition, both diblock and triblock copolymer, chains with bridge conformation extend dramatically in the direction parallel to the surface when the system is in ordered state. Finally, the copolymer chain conformation depends strongly on both the blend composition and the incompatibility parameter chiN.
通过晶格蒙特卡罗模拟研究了对称ABA/AB共聚物共混物的组成对夹在两个中性硬壁之间的形态、有序-无序转变（ODT）和链构象的影响。在热力学平衡状态下，所有模拟形态中均观察到层状结构，这得到了理论预测的支持。当AB二嵌段共聚物的组成（φ）增加时，层间距和相应的ODT温度均升高，这可归因于二嵌段和三嵌段共聚物链构象分布的变化。此外，当系统处于有序状态时，具有桥接构象的二嵌段和三嵌段共聚物链在平行于表面的方向上显著延伸。最后，共聚物链构象强烈依赖于共混物组成和不相容参数χN。
