化工学报2019，Vol.70Issue(10)：3976-3984,9.DOI:10.11949/0438-1157.20190127
基于Monte Carlo方法的聚苯硫醚聚合反应动力学建模
Kinetic modeling of polyphenylene sulfide polymerization reaction based on Monte Carlo method
摘要
Abstract
Based on the polymerization mechanism and process analysis of polyphenylene sulfide (PPS) and reasonable assumptions, a kinetic model of PPS polymerization based on Monte Carlo method was proposed. The fitting regression of the model parameters was performed through literature data, and the results show that the calculated value based on the kinetic model is in good agreement with the corresponding experimental data, and the extrapolation prediction based on the model is consistent with experiments, with the deviation less than 2%. The effect of the reactants ratio on the polymerization reaction was calculated based on kinetic model, and the results is in accordance with the literature value. Finally, by establishing the reactor model of industrial PPS polymerization, the industrial production process was simulated, and the results show that the tanks-in-series mode should be adopted for this process. The relevant results in this work will provide theoretical basis to the kinetic modeling of PPS polymerization reaction and the design and optimization of industrial PPS production.关键词
聚苯硫醚/Monte Carlo/动力学建模/聚合反应Key words
polyphenylee sulfnide/Monte Carlo/kinetic modeling/polymerization reaction分类
化学化工引用本文复制引用
文帅,王德坤,孙伟振,赵玲..基于Monte Carlo方法的聚苯硫醚聚合反应动力学建模[J].化工学报,2019,70(10):3976-3984,9.基金项目
国家自然科学基金项目(91434108) （91434108）
新疆维吾尔自治区重点研发任务项目(2018B02016-1) （2018B02016-1）
