原子转移自由基聚合的动力学模型化研究  

Kinetic Modeling of Atom Transfer Radical Polymerization

作　　者：周寅宁[1] 罗正鸿[1] 

机构地区：[1]上海交通大学化学工程系

出　　处：《高分子通报》2013年第8期1-12,共12页Polymer Bulletin

摘　　要：原子转移自由基聚合(ATRP)是"活性"/可控自由基聚合方法中研究最为广泛的一种,它不仅适用单体广泛、反应条件温和,而且可以方便地对聚合物进行结构设计。为了能够更深入地了解和控制聚合过程,通过ATRP动力学模型化并耦合不同操作方式下的反应器模型已成为必然,它可以更精确地控制大分子链结构,如分子量及其分布、共聚组成及组成分布,同时还能优化聚合条件。从传统自由基聚合理论入手并结合ATRP与传统自由基聚合的异同,本文首先论述了ATRP动力学模型化过程;其次系统综述了已有的ATRP动力学模型研究,着重对三类不同的数学模型处理方法(矩方法,蒙特卡罗法、商业软件包-PREDICI,GEPASI等)进行了总结。Atom transfer radical polymerization （ATRP） is one of the most extensively studied ＂living＂/controlled radical polymerization （CRP） methods, not only owing to its simple, mild reaction conditions and broad applicability, but also it can be easily applied to produce polymeric materials with well-defined structure. In order to well understand and control the polymerization process, it is necessary to develop a comprehensive kinetic model for ATRP and coupling it with different reactor models, which can be useful for researchers to control over chain mierostructure with predetermined molecular weight and narrow polydispersity, as well as copolymer composition and its composition distribution, and also optimize the polymerization conditions. This review illustrates the establishment of the appropriate ATRP kinetic model based on the theory of conventional free radical polymerization. Moreover, it also makes a comparison of the mechanism between ＂living＂ / controlled and conventional free radical polymerization examples in order to reveal the similarities and differences of the two methods within this field. In addition, we detail the research work concerning the kinetic modeling of ATRP, and more attention has been paid to analyze and summarize on the kinetic models from the point of different mathematical processing methods （method of moment, Monte Carlo simulation, and commercial software-PREDICI, GEPASI etc. ）.

关 键 词：原子转移自由基聚合(ATRP) 动力学模型 反应器模型 

分 类 号：O631.5[理学—高分子化学]