高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (7): 1146.

• 研究快报 • 上一篇    下一篇

具有RAFT链转移过程的活性自由基聚合的Monte Carlo模拟

李莉, 何军坡, 杨玉良   

  1. 复旦大学高分子科学系, 聚合物分子工程教育部重点实验室, 上海 200433
  • 收稿日期:2000-01-24 出版日期:2000-07-24 发布日期:2000-07-24
  • 通讯作者: 杨玉良(1952年出生),男,教授,博士生导师,主要从事高分子凝聚态物理和活性自由基聚合的研究.
  • 基金资助:

    国家重点基础研究专项经费(批准号:G19990648);国家自然科学基金;教育部优秀青年教师基金

Monte Carlo Simulation on Living Radical Polymerization with RAFT Process

LI Li, HE Jun-Po, YANG Yu-Liang   

  1. Department of Macromolecular Science, Fudan University, The Key Laboratory of Molecular Engineering of Polymers, Ministry of Education, Shanghai 200433, China
  • Received:2000-01-24 Online:2000-07-24 Published:2000-07-24

关键词: 活性自由基聚合, RAFT链转移过程, 多分散性系数, Monte Carlo模拟

Abstract: Monte Carlo simulation is applied, with a high effectiveness and versatility, to the studies on the kinetics and chain length distribution in radical polymerization with RAFTprocess. The results show that the molecular weight the resulting polymers increase linearly with monomer conversion, and the polydispersity is lower than 1.1, a typical feature of living polymerization. The simulation results are in consistent with the experimental results in literature. Additionally, that the molecular weight is proportional to the initial concentration of dithioester, [DSE]0, and the polymerization rate is [DSE]0-independent, could be of great help for controlling molecular weight in experiment.

Key words: Living free-radical polymerization, RAFT process, Polydispersity index, Monte Carlo simulation

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