Kinetic modeling of polyphenylene sulfide polymerization reaction based on Monte Carlo method

WEN Shuai; WANG Dekun; SUN Weizhen; ZHAO Ling

doi:10.11949/0438-1157.20190127

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Kinetic modeling of polyphenylene sulfide polymerization reaction based on Monte Carlo method

Catalysis\, kinetics and reactors | 更新时间：2026-07-24

- Kinetic modeling of polyphenylene sulfide polymerization reaction based on Monte Carlo method
- CIESC Journal Vol. 70, Issue 10, Pages: 3976-3984(2019)
- 作者机构：
  
  1.华东理工大学化学工程联合国家重点实验室，上海 200237
  2.新疆大学化学化工学院，新疆乌鲁木齐 830046
- 作者简介：
- 基金信息：
- DOI：10.11949/0438-1157.20190127
  CLC： TQ 316.3
- Received：18 February 2019，
  
  Revised：2019-05-15，
  
  Online First：24 July 2026，
  
  Published：05 October 2019
- 稿件说明：
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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

WEN Shuai, WANG Dekun, SUN Weizhen, ZHAO Ling. Kinetic modeling of polyphenylene sulfide polymerization reaction based on Monte Carlo method[J]. CIESC Journal, 2019, 70(10): 3976-3984
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 DOI： 10.11949/0438-1157.20190127.

WEN Shuai, WANG Dekun, SUN Weizhen, ZHAO Ling. Kinetic modeling of polyphenylene sulfide polymerization reaction based on Monte Carlo method[J]. CIESC Journal, 2019, 70(10): 3976-3984 DOI： 10.11949/0438-1157.20190127.

摘要

根据聚苯硫醚（PPS）聚合机理及过程分析并通过合理假设，提出了基于Monte Carlo方法的PPS聚合反应动力学模型。利用文献数据对模型参数进行了拟合回归，结果表明动力学模型计算值与相应的实验数据符合良好，并且模型外推预测与相同条件的实验接近，两者偏差小于2%；通过模型对反应物配比的影响进行模拟计算，结果与文献值相符合。最后，通过建立工业PPS聚合反应器模型对工业生产过程进行了模拟计算，结果表明PPS生产过程宜采用多釜串联的方式。相关研究结果可对PPS聚合反应动力学建模和工业过程的设计和优化提供理论依据。

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.

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references

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