Analytical and advanced kinetic models for characterization of chain-growth copolymerization: the state-of-the-art,Reaction Chemistry & Engineering

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Analytical and advanced kinetic models for characterization of chain-growth copolymerization: the state-of-the-art
Reaction Chemistry & Engineering ( IF 3.4 ) Pub Date : 2018-03-16 00:00:00 , DOI: 10.1039/c7re00206h
S. K. Fierens _{1,

2,

3,

4} , P. H. M. Van Steenberge _{1,

2,

3,

4} , M.-F. Reyniers _{1,

2,

3,

4} , D. R. D'hooge _{1,

2,

3,

4,

5} , G. B. Marin _{1,

2,

3,

4}

Affiliation

A detailed overview is given on the currently developed analytical and advanced kinetic models to calculate the main bulk/solution chain-growth copolymerization characteristics. A differentiation is made between the calculation of the average propagation rate coefficient/polymerization rate and compositional properties, e.g. (average) copolymer composition, segment length distribution, and monomer sequences. Both terminal and penultimate reactivity models are included and the relevance of their parameters is highlighted through case studies. Focus is first on models describing average characteristics, with particular emphasis on the strength of analytical models to determine reactivity ratios. Next more advanced models, in particular multivariate kinetic models accounting for distributions of a distinct number of microstructural variates of interest such as chain length and copolymer composition, are discussed. Finally, the more recently developed explicit or reaction event tracking models are covered, in which compositional and temporal changes are fully tracked along individual copolymer chains.

中文翻译：

用于表征链增长共聚的分析动力学模型和高级动力学模型：最新技术

详细介绍了当前开发的分析和高级动力学模型，以计算主要的本体/溶液链增长共聚特性。在平均传播速率系数/聚合速率的计算与组成特性之间进行区分，例如（平均）共聚物组成，链段长度分布和单体序列。最终反应模型和倒数第二反应模型都包括在内，并且通过案例研究突出了它们参数的相关性。首先要关注描述平均特征的模型，尤其要强调分析模型确定反应比的强度。接下来讨论更高级的模型，尤其是考虑了不同数量的目标微观结构变量（例如链长和共聚物组成）的分布的多元动力学模型。最后，涵盖了最近开发的显式或反应事件跟踪模型，其中沿单个共聚物链完全跟踪了成分和时间变化。

更新日期：2018-03-16

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