| 具有RAFT链转移过程的活性自由基聚合的Monte Carlo模拟 |
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| 引用本文： | 李莉,何军坡,杨玉良.具有RAFT链转移过程的活性自由基聚合的Monte Carlo模拟[J].高等学校化学学报,2000,21(7). |
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| 作者姓名： | 李莉 何军坡 杨玉良 |
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| 作者单位： | 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 |
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| 基金项目： | 国家重点基础研究专项经费! (批准号 :G19990 648)，国家自然科学基金，教育部优秀青年教师基金 |
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| 摘 要： | 活性自由基聚合是近年来高分子合成领域中研究的热点之一 .目前主要有两种体系 ,其一是ＴＥＭＰＯ调控的自由基聚合1],但单体选择面窄 ,聚合速率慢 ;其二是原子转移聚合 ,单体适用面较广 ,但产物中常含有难以除去的金属离子2 ].因此寻找单体适用性广 ,产物纯净的聚合体系 ,具有十分重要的意义 .近两年来 ,Ｔｈａｎｇ等36 ]发现用双硫酯调聚的自由基聚合具有活性特征 ,并指出其原因是这类体系中的链转移具有可逆性 ,称为可逆加成 裂解链转移过程 (ＲＡＦＴ) ,可示意如下 :Ｒｉ·+ ＣＳＺＳＲｊ(ＤＳＥ)ｋａｄｄｋｄｉｓＣ·ＳＲｉＺＳＲｊ…
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| 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 |
Monte Carlo Simulation on Living Radical Polymerization with RAFT Process |
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| LI Li,HE Jun-Po,YANG Yu-Liang.Monte Carlo Simulation on Living Radical Polymerization with RAFT Process[J].Chemical Research In Chinese Universities,2000,21(7). |
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| Authors: | LI Li HE Jun-Po YANG Yu-Liang |
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| 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 RAFT process. 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. |
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| Keywords: | Living free-radical polymerization RAFT process Polydispersity index Monte Carlo simulation |
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