Modeling of the Free Radical Copolymerization Kinetics of n-Butyl Acrylate, Methyl Methacrylate and 2-Ethylhexyl Acrylate Using PREDICI®
Modeling of the Free Radical Copolymerization Kinetics of n-Butyl Acrylate, Methyl Methacrylate and 2-Ethylhexyl Acrylate Using PREDICI®
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DOI：
10.3390/pr7070395
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发表时间：
2019-07-01
期刊：
影响因子：
3.5
通讯作者：
Dube, Marc A.
中科院分区：
文献类型：
--
作者：
Gomez-Reguera, Javier A.;Vivaldo-Lima, Eduardo;Dube, Marc A.
使用软件PREDICI（R）对丙烯酸正丁酯（BA）和丙烯酸2-乙基己酯（EHA）;甲基丙烯酸甲酯（MMA）和EHA;以及BA、MMA和EHA的本体自由基共聚进行动力学建模。预测结果的转化率与时间，组合物与转化率，和分子量的发展进行了比较，在不同的进料组合物的实验数据。扩散控制的影响和背后咬BA被纳入模型，因为它们被证明是显着的，在这些聚合。估计的全局参数的集合允许人们评估这些共聚系统在宽范围的单体组合物的性能。
Kinetic modeling of the bulk free radical copolymerizations of n-butyl acrylate (BA) and 2-ethylhexyl acrylate (EHA); methyl methacrylate (MMA) and EHA; as well as BA, MMA and EHA was performed using the software PREDICI (R). Predicted results of conversion versus time, composition versus conversion, and molecular weight development are compared against experimental data at different feed compositions. Diffusion-controlled effects and backbiting for BA were incorporated into the model as they proved to be significant in these polymerizations. The set of estimated global parameters allows one to assess the performance of these copolymerization systems over a wide range of monomer compositions.