高等学校化学学报 ›› 2015, Vol. 36 ›› Issue (12): 2532.doi: 10.7503/cjcu20150297

• 物理化学 • 上一篇    下一篇

均聚物分子链长对A/AB/B聚合物共混体系界面性质影响的Monte Carlo模拟研究

刘冬梅1,2, 段晓征1, 石彤非1, 蒋放1, 张汉壮2   

  1. 1. 中国科学院长春应用化学研究所, 长春 130022
    2. 吉林大学物理学院, 长春 130012
  • 收稿日期:2015-04-15 出版日期:2015-12-10 发布日期:2015-11-17
  • 作者简介:联系人简介: 段晓征, 男, 博士, 助理研究员, 主要从事高分子物理研究. E-mail:xzduan@ciac.ac.cn
  • 基金资助:
    国家自然科学基金(批准号: 21174146, 21404103, 21234007)

Monte Carlo Simulation of Effects of Homopolymer Chain Length on Interfacial Properties of A/AB/B Ternary Polymer Blends

LIU Dongmei1,2, DUAN Xiaozheng1,*, SHI Tongfei1, JIANG Fang1, ZHANG Hanzhuang2   

  1. 1. State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Science, Changchun 130022, China
    2. College of Physics, Jilin University, Changchun 130012, China
  • Received:2015-04-15 Online:2015-12-10 Published:2015-11-17
  • Contact: DUAN Xiaozheng
  • Supported by:
    † Supported by the National Natural Science Foundation of China(Nos.21174146, 21404103, 21234007)

摘要:

利用格子Monte Carlo(MC)模拟方法研究了均聚物/两嵌段共聚物/均聚物(A/AB/B)共混体系中均聚物分子链长对界面性质的影响. 研究结果表明, 当两嵌段共聚物的分子链长NC=20时, 随着均聚物分子链长NH从10增至60, 界面厚度增加, 取向参数q随着均聚物分子链长的增长而先减小后增大, 即共聚物分子在垂直界面方向的拉伸程度先减弱后增强; 当两嵌段共聚物的分子链长NC=60时, 随均聚物分子链长的增加, 界面厚度减小, 共聚物分子链取向参数q减小, 分子在垂直界面方向的拉伸程度减弱.

关键词: 共混体系, 界面性质, Monte Carlo模拟

Abstract:

We employed Monte Carlo simulation to investigate the effects of chain length of the homopolymer on the interfacial properties between two immiscible homopolymers. When the chain length of diblock copolymer is fixed at NC=20, as the chain length(NH) of homopolymer increases from 10 to 60, the interface thickness increases significantly. The orientation parameter q of the diblock copolymer chain decreases with the increase of NH from 10 to 40, but enlarges with the further increase of homopolymer chain length, which means that the stretching of diblock copolymer displays a non-monotonic dependence on the homopolymer chain length. When the diblock copolymer chain length is fixed as NC=60, as the chain length of homopolymer increases from NH=10 to 60, the interface thickness decreases and the diblock copolymer chain orientation parameter q decreases, indicating that the stretching of diblock chain is weakened.

Key words: Polymer blend, Interfacial property, Monte Carlo simulation

中图分类号: 

TrendMD: