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Mathematical Modeling of Free Radical Solution Terpolymerization Reactions in a Batch and Continuous Flow Stirred Tank Reactors
Macromolecular Theory and Simulations ( IF 1.4 ) Pub Date : 2021-01-21 , DOI: 10.1002/mats.202000094
Carla V. Luciani 1, 2 , Kyu Yong Choi 1
Affiliation  

A mathematical model that describes a free radical solution terpolymerization is applied to styrene (St), methyl methacrylate (MMA), and maleic anhydride (MAh) polymerization system. This terpolymerization model allows for the use of either monofunctional or bifunctional peroxide initiators, and it is applied to batch and continuous reactions. The key model outputs are global monomer conversion, terpolymer composition, terpolymer average molecular weights, and terpolymer monomer sequence distributions. A few kinetic parameters are estimated such that global conversion is properly predicted by the model including initiator efficiency and two termination rate constants. Molecular weights are shown to be dominated by chain transfer reactions. Experimental trends of conversion, terpolymer molar masses (molecular weights), and composition are reasonably well predicted by the model.

中文翻译:

间歇和连续流搅拌釜反应器中自由基溶液三元聚合反应的数学模型

将描述自由基溶液三元聚合的数学模型应用于苯乙烯(St),甲基丙烯酸甲酯(MMA)和马来酸酐(MAh)聚合体系。该三元聚合模型允许使用单官能或双官能过氧化物引发剂,并将其应用于间歇和连续反应。主要模型输出为整体单体转化率,三元共聚物组成,三元共聚物平均分子量和三元共聚物单体序列分布。估计一些动力学参数,以便通过该模型正确预测整体转化,包括引发剂效率和两个终止速率常数。分子量显示主要由链转移反应决定。转化率的实验趋势,三元共聚物的摩尔质量(分子量),
更新日期:2021-01-21
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