A Cross-Linking Copolymerization Mathematical Model Including Phase Separation and Cyclization Kinetics
A Cross-Linking Copolymerization Mathematical Model Including Phase Separation and Cyclization Kinetics
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DOI：
10.1002/mats.201500018
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发表时间：
2015-05-01
影响因子：
1.4
通讯作者：
Aguiar, Leandro G.
中科院分区：
文献类型：
--
作者：
Aguiar, Leandro G.
建立了苯乙烯-二乙烯基苯交联共聚反应的相分离和环化动力学模型。凝胶化动力学模型通过数值分馏技术，并考虑到相分离通过修改Flory的方程。使用序列的平衡以确保模型中的环化反应。本方法倾向于预测共聚的主要变量，并与文献中的孔隙率数据进行了比较。还可以评估环化反应对相分离行为的影响。环化速率系数是反应中所用溶剂体系的函数。通过数值分馏方法，模型可以提供更多的细节，该方法允许计算来自不同代的链的浓度，以及它们对聚合物颗粒孔隙率的影响。
This work presents a mathematical model for the cross-linking copolymerization of styrene-divinylbenzene comprising the phase separation and cyclization kinetics. The gelation dynamics was modeled through the Numerical Fractionation technique, and the phase separation was taken into account through modified Flory's equations. A balance of sequences was used in order to ensure cyclization reactions in the model. The present approach tends to predict the copolymerization's main variables and it was compared with porosity data from literature. The cyclization reactions effect on the phase separation behavior could also be assessed. The cyclization rate coefficient was found to be a function of the solvents system used in the reaction. Further details can be provided by the model through the Numerical Fractionation method which allows one to calculate the concentration of chains from different generations, and their effect upon the polymer particle porosity.