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Kinetic Model of Maleic Anhydride Grafting onto Poly(Propylene Carbonate) during Melt Compounding
Macromolecular Theory and Simulations ( IF 1.4 ) Pub Date : 2019-09-23 , DOI: 10.1002/mats.201900038
Bárbara A. Calderón 1 , Michel E. Bauer 2 , Conor W. Thompson 1 , Margaret J. Sobkowicz 1
Affiliation  

The functionalization of poly(propylene carbonate) (PPC) by means of both free radical and esterification grafting of Maleic anhydride (MAH) aided by a peroxide is simulated by means of a kinetic model. The amount of MAH grafted (Ag) measured from batch mixer trials shows good agreement with the simulated results. Sensitivity analysis of the different rate constants shows that peroxide decomposition is the factor that drives the reaction, meaning that the choice of initiator affects greatly the reaction conversion. The next most dominant reaction is the chain ends esterification. There is a competing effect between chain initiation and side reactions, however, chain initiation is slightly more dominant than the latter. It is also found that higher content of peroxide induces higher Ag. The amount of MAH has a lower impact on Ag at low peroxide concentration; however, it becomes more influential in the presence of more peroxide.

中文翻译:

熔融共混过程中马来酸酐接枝到聚碳酸丙烯酯上的动力学模型

通过动力学模型模拟了通过自由基和马来酸酐(MAH)的酯化接枝和过氧化物辅助的聚碳酸亚丙酯(PPC)的功能化。间歇式混合器试验测得的MAH接枝量(A g)与模拟结果吻合良好。对不同速率常数的敏感性分析表明,过氧化物的分解是驱动反应的因素,这意味着引发剂的选择会极大地影响反应的转化率。下一个最主要的反应是链端酯化。在链引发和副反应之间存在竞争作用,但是,链引发比后者更占优势。还发现较高的过氧化物含量会引起较高的A。在低过氧化物浓度下,MAH的含量对A g的影响较小;但是,在更多的过氧化物存在下,它的影响力更大。
更新日期:2019-09-23
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