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具有RAFT链转移过程的活性自由基聚合的Monte Carlo模拟 被引量:5

Monte Carlo Simulation on Living Radical Polymerization with RAFT Process
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摘要 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. 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.
出处 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2000年第7期1146-1148,共3页 Chemical Journal of Chinese Universities
基金 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
关键词 活性自由基聚合 RAFT链转移 MONTECARLO模拟 Living free-radical polymerization RAFT process Polydispersity index Monte Carlo simulation
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参考文献7

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