文献类型：期刊文献

中文题名：Monte Carlo simulation of sequential structure control of AN-MA-IA aqueous copolymerization by different operation modes

作者：Tong Qin[1];Zhenhao Xi[1];Ling Zhao[1,2];Weikang Yuan[1]

机构：[1]State Key Laboratory of Chemical Engineering,East China University of Science and Technology,Shanghai 200237,China;[2]College of Chemistry and Chemical Engineering,Xinjiang University,Urumqi 830046,China

年份：2022

卷号：35

期号：6

起止页码：231

中文期刊名：Chinese Journal of Chemical Engineering

外文期刊名：中国化学工程学报（英文版）

收录：CSTPCD;;Scopus;CSCD:【CSCD2021_2022】；PubMed;

基金：The authors gratefully acknowledge the supports from the National Natural Science Foundation of China(21878256,21978089);the National Key Research and Development Program of China(2016YFB0302701);the Fundamental Research Funds for the Central Universities(22221818010);Programe of Introducing Talents of Discipline to Universities(B20031).

语种：英文

中文关键词：Polyacrylonitrile;Monte Carlo simulation;Machine learning;Genetic algorithms;Sequence structure;Operation method

摘要：The regulation of polyacrylonitrile(PAN)copolymer composition and sequence structure is the precondition for producing high-quality carbon fiber high quality.In this work,the sequential structure control of acrylonitrile(AN),methyl acrylate(MA)and itaconic acid(IA)aqueous copolymerization was investigated by Monte Carlo(MC)simulation.The parameters used in Monte Carlo were optimized via machine learning(ML)and genetic algorithms(GA)using the experimental data from batch copolymerization.The results reveal that it is difficult to control the aqueous copolymerization to obtain PAN copolymer with uniform sequence structure by batch polymerization with one-time feeding.By contrary,it is found that the PAN copolymer with uniform composition and sequence structure can be obtained by adjusting IA feeding quantity in each reactor of a train of five CSTRs.Hopefully,the results obtained in this work can provide valuable information for the understanding and optimization of AN copolymerization process to obtain high-quality PAN copolymer precursor.