Wang Zhexiao, Shao Jing, Pan Heng, Feng Xiaoshuang, Chen Peng, Xia Ru, Wu Xiangsong, Qian Jiasheng
Anhui Province Key Laboratory of Environment-friendly Polymer Materials, School of Chemistry and Chemical Engineering, Anhui University, Hefei 230601 (P. R. China).
Chemphyschem. 2015 Feb 23;16(3):567-71. doi: 10.1002/cphc.201402690. Epub 2014 Dec 11.
Monte Carlo simulations were carried out to study the phase separation of a copolymer blend comprising an alternating copolymer and/or block copolymer in a thin film, and a phase diagram was constructed with a series of composed recipes. The effects of composition and segregation strength on phase separation were discussed in detail. The chain conformation of the block copolymer and alternating copolymer were investigated with changes of the segregation strength. Our simulations revealed that the segment distribution along the copolymer chain and the segregation strength between coarse-grained beads are two important parameters controlling phase separation and chain conformation in thin films of a copolymer blend. A well-controlled phase separation in the copolymer blend can be used to fabricate novel nanostructures.
进行了蒙特卡罗模拟，以研究包含交替共聚物和/或嵌段共聚物的共混物在薄膜中的相分离，并通过一系列组成配方构建了相图。详细讨论了组成和偏析强度对相分离的影响。研究了嵌段共聚物和交替共聚物的链构象随偏析强度的变化。我们的模拟表明，沿共聚物链的链段分布和粗粒珠子之间的偏析强度是控制共混物薄膜中相分离和链构象的两个重要参数。共混物中良好控制的相分离可用于制造新型纳米结构。
