高等学校化学学报

高等学校化学学报 ›› 2011, Vol. 32 ›› Issue (2): 389.

• 研究论文 • 上一篇    下一篇

Monte Carlo模拟研究高分子单链在基体中扩散的拓扑效应

杨永彪,孙昭艳   

  1. 中国科学院长春应用化学研究所, 高分子物理与化学国家重点实验室, 长春 130022
  • 收稿日期:2010-04-12 修回日期:2010-08-13 出版日期:2010-02-10 发布日期:2011-02-23
  • 通讯作者: 孙昭艳 E-mail:zysun@ciac.jl.cn
  • 基金资助:

    国家自然科学基金(批准号: 50873098, 50921062)和吉林省杰出青年科学基金(批准号: 20070113)资助.

Monte Carlo Simulation on the Topology Effects for the Diffusion of a Single Polymer Chain in Matrix

YANG Yong-Biao, SUN Zhao-Yan*   

  1. State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
  • Received:2010-04-12 Revised:2010-08-13 Online:2010-02-10 Published:2011-02-23
  • Contact: SUN Zhao-Yan E-mail:zysun@ciac.jl.cn
  • Supported by:

    国家自然科学基金(批准号: 50873098, 50921062)和吉林省杰出青年科学基金(批准号: 20070113)资助.

PDF (PC)

被引次数

11

摘要： 高分子流体的性质同高分子的链结构及其动力学行为密切相关. 在高分子共混物中，共混组分的性质不仅依赖于自身的拓扑结构，还受到其它组分分子拓扑的影响. 本文中采用基于格子模型的Monte Carlo模拟方法研究了在高分子基体中扩散的4种不同拓扑组合（环形或线形高分子链）体系中目标单链的静态和动态性质. 结果发现，环形目标单链的性质受基体分子拓扑结构的影响要大于线形目标单链；其中环/线这一拓扑组合中目标单链的扩散机理相比其本体已经发生了较大改变，链末端在其中起了重要作用. 此外，我们对引起这一现象出现的可能原因做了分析.  

关键词: Monte Carlo 模拟, 拓扑效应, 环形高分子

Abstract: The properties of polymer fluids are closely related to the structure of polymer chains and their dynamical behaviors. When a single polymer chain diffuses in a matrix, the properties of this single chain depend on the topology of the matrix very much. In this paper, using lattice Monte Carlo simulation method, the static and dynamical properties of the target single chain in polymer matrices are studied, and four types of topology combinations are investigated with increasing chain length of matrix. It is found that the target ring chain is more sensitive to the topology of matrix than that of linear chain, which implies that diffusion mechanism of a single ring chain in the linear matrix might be changed.

Key words: Monte Carlo Simulation, Topology Effect, Ring Chain

TrendMD: