高等学校化学学报 ›› 2015, Vol. 36 ›› Issue (9): 1752-1758.doi: 10.7503/cjcu20150202

• 物理化学 • 上一篇    下一篇

均聚物/两嵌段共聚物/均聚物三元聚合物共混体系界面性质的Monte Carlo模拟

刘冬梅1,2, 戴利均2, 段晓征2(), 石彤非2, 张汉壮1   

  1. 1. 吉林大学物理学院, 长春 130012
    2. 中国科学院长春应用化学研究所, 高分子物理和化学国家重点实验室, 长春 130022
  • 收稿日期:2015-03-16 出版日期:2015-09-10 发布日期:2015-08-21
  • 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)资助

Monte Carlo Simulation of Interfacial Properties in Homopolymer/Diblock Copolymer/Homopolymer Ternary Polymer Blends

LIU Dongmei1,2, DAI Lijun2, DUAN Xiaozheng2,*(), SHI Tongfei2, ZHANG Hanzhuang1   

  1. 1. College of Physics, Jilin University, Changchun 130012, China
    2. State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Science, Changchun 130022, China
  • Received:2015-03-16 Online:2015-09-10 Published:2015-08-21
  • Contact: DUAN Xiaozheng E-mail:xzduan@ciac.ac.cn
  • Supported by:
    † Supported by the National Natural Science Foundation of China(Nos.21174146, 21404103)

摘要:

利用格子Monte Carlo(MC)模拟方法研究了两嵌段共聚物增容剂AB的链长及浓度对不相容性均聚物A/B共混体系界面性质的影响. 研究结果表明, 当两嵌段共聚物的体积分数φC=0.05时, 随着两嵌段共聚物分子链长NC从10增至20, 界面厚度剧烈减小, 而当两嵌段共聚物的分子链长NC进一步增加到60时, 界面厚度轻微增加; 两嵌段共聚物的取向参数q随着分子链长的增长而增加, 即共聚物分子在垂直界面方向的拉伸程度增大. 当两嵌段共聚物AB的分子链长NC固定为10时, 随着链浓度增大, 界面厚度增加, 共聚物分子链取向参数q减小, 共聚物分子在垂直界面方向的拉伸程度减小.

关键词: 两嵌段共聚物, 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 and concentration of the diblock copolymer on the interfacial properties between two immiscible homopolymers. When the volume fraction of diblock copolymer is fixed at φC=0.05, as the chain length(NC) of diblock copolymer increases from 10 to 20, the interface thickness decreases significantly; whereas with the chain length of diblock copolymer further increasing to NC=60, the interface thickness increases slightly. The orientation parameter q of the diblock copolymer chain enlarges with the increase of the diblock copolymer chain length, which means that the diblock copolymer is more stretched. When the diblock copolymer chain length is fixed as NC=10, as the volume fraction of diblock copolymer increases from φC=0.01 to 0.05, the interface thickness increases and the diblock copolymer chain orientation parameter q decreases, indicating that the stretching of diblock chain decreases.

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

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