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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 widely studied “active ” / controlled radical polymerization methods, it is not only suitable for a wide range of monomers, mild reaction conditions, and can be easily structural design of the polymer . In order to understand and control the polymerization process more deeply, it has become necessary to model and couple the reactor models under different operating modes by ATRP kinetics. It can control the structure of macromolecules more precisely, such as molecular weight and its distribution, copolymerization composition And composition distribution, but also optimize the polymerization conditions. Starting with the traditional theory of free radical polymerization and combining the similarities and differences between ATRP and traditional radical polymerization, this paper first discusses the modeling process of ATRP kinetics. Secondly, the existing ATRP kinetic models are systematically reviewed, focusing on three different mathematical models Processing methods (Moment method, Monte Carlo method, commercial software package-PREDICI, GEPASI, etc.) were summarized.