摘要
主要研究1,8-二氮杂二环十一碳-7-烯(DBU)催化碳酸乙烯酯和甲醇酯交换反应合成碳酸二甲酯的反应动力学。首先假设碳酸二甲酯的反应机理,在此基础上建立动力学模型,得到相应的动力学方程。通过实验数据处理,线性回归计算得到动力学方程的未知参数,最终得到反应速率r=4.2889e^(-15763/RT)_(c EC c MEOH)-49811e^(-31308/RT)_(c DMC c EC/c MEOH),其中正反应活化能E+a=15763 J·mol^(-1),正反应指前因子k+0=4.3889,正反应速率常数k+=4.3889^(e-15763/RT);逆反应活化能E-a=31308 J·mol^(-1),逆反应指前因子k-0=49811,逆反应速率常数k-=49811e-31308/R T。研究结果为模拟计算及工业化放大提供了一定的理论依据。
Kinetics of transesterification reaction of dimethyl carbonate synthesis from ethylene carbonate and methanol catalyzed by 1,8-Diazabicyclo[5.4.0]undec-7-ene(DBU)was studied in this article.Mechanism of this reaction was proposed firstly,then the kinetic model.Corresponding kinetic equation was deducted by linear regression of the experimental data:the reaction rate r=4.2889e^(-15763/RT)_(c EC c MEOH)-49811e^(-31308/RT)_(c DMC c EC/c MEOH),where the activation energy of the positive reaction is E+a=15763 J·mol^(-1),preexponential factor k+0=4.3889,reaction rate constant k+=4.3889^(e-15763/RT);the activation energy of the reverse reaction E-a=31308 J·mol^(-1),preexponential factor k-0=49811,reaction rate constant k-=49811e-31308/R T.The results of this paper provided a theoretical basis for modeling and industrial scale-up.
作者
李博
韩伟
程牧曦
李扬
王华
丁亮
谭亚南
Li Bo;Han Wei;Cheng Muxi;Li Yang;Wang Hua;Ding Liang;Tan Yanan(State Key Laboratory of Industrial Vent Gas Reuse,National Engineering Research Center for C1 Chemistry,Southwest Research and Design Institute of Chemical Industry Co.,Ltd.,Chengdu 610225,Sichuan,China)
出处
《工业催化》
2021年第7期42-48,共7页
Industrial Catalysis
基金
四川省青年科技创新研究团队专项计划(批准号2019JDTD0021)。
关键词
化学动力学
碳酸乙烯酯
动力学
酯交换法
碳酸二甲酯
chemical kinetics
ethylene carbonate
kinetics
transesterification reaction
dimethyl carbonate
