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建立了针对丙烯腈/衣糠酸共聚反应的Monte Carlo模拟算法,首先在不同pH值单体竞聚率条件下计算了共聚组成随单体投料比的变化,由实验结果验证了该Monte Carlo模型的准确性。在此基础上,对丙烯腈共聚物链结构的变化规律和影响因素进行了理论分析,指出传统一次性进料工艺中存在共聚物组成和序列结构均匀性差的问题,进而根据模拟计算结果提出调控共聚物序列结构均匀性的可行性方案。结果表明,通过在聚合不同阶段分时按比例补加活泼单体衣糠酸(ITA),可以对聚合产物的瞬时组成和序列结构起到有效的平均化效果,从而改善共聚组成和序列结构的均匀化程度,这种链结构的改进将有利于最终碳纤维性能的提高。
A Monte Carlo simulation method for the copolymerization of acrylonitrile and furoic acid was established. The change of copolymerization composition with monomer feed ratio was calculated at different monomer reactivity ratios. The Monte Carlo model Accuracy On this basis, the change rules and influencing factors of the chain structure of acrylonitrile copolymer were theoretically analyzed. It was pointed out that the copolymer composition and sequence structure uniformity were poor in the conventional one-time feeding process, and then the control Copolymer sequence structure of the feasibility of the program. The results show that the instantaneous composition and sequence structure of the polymerization product can be effectively ameliorated by the addition of the active monomer, isostearic acid (ITA) proportionally at different stages in the polymerization to improve the copolymerization composition and sequence structure The degree of homogenization, the improvement of this chain structure will be conducive to the final carbon fiber performance.