Kinetics of bis(2-methyl) butylene carbonate by transesterification of dimethyl carbonate with 1,4-butanediol

IF 1.5 4区 化学 Q4 CHEMISTRY, PHYSICAL International Journal of Chemical Kinetics Pub Date : 2023-07-31 DOI:10.1002/kin.21687
Yanfang Zhao, Tingting Pei, Rihui Liang, Guoliang Zhao, Zhongkai Yang
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Abstract

The kinetic behavior of bis(2-methyl) butylene carbonate (BMBC) by the transesterification of dimethyl carbonate (DMC) with 1,4-butanediol (BDO) was investigated experimentally and theoretically. The Fourier transform infrared spectroscopy (FTIRs) test confirmed that the BMBC was successfully synthesized. The optimum preparation process of BMBC was investigated at atmospheric pressure, where Zn(Ac)2∙2H2O was the best catalyst for this transesterification reaction, and the optimal concentration was 0.3 wt%. The conversion was determined by measuring the amount of methanol produced during the reaction by refractometric method. A kinetic model was proposed according to the experimental results. The results showed that the transesterification reaction was a pseudo-first-order reaction. The apparent activation energy (Ea) significantly decreased with the increase of catalyst concentration from 0.1 wt% to 0.5 wt%. The Ea of the reaction was 102.13, 84.36, and 70.18 kJ mol−1, respectively, when the catalyst concentration was 0.1 wt%, 0.3 wt%, and 0.5 wt%. Furthermore, the parameters of the optimal heating curve in the batch reactor was obtained according to the optimal model.

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碳酸二甲酯与1,4-丁二醇酯交换制备碳酸双(2-甲基)丁烯酯的动力学
实验和理论研究了碳酸二甲酯(DMC)与1,4-丁二醇(BDO)酯交换制备碳酸二(2-甲基)丁烯酯(BMBC)的动力学行为。傅立叶变换红外光谱(FTIRs)测试证实了BMBC的成功合成。研究了大气压下BMBC的最佳制备工艺,其中Zn(Ac)2∙2H2O是该酯交换反应的最佳催化剂,最佳浓度为0.3wt%。通过折射法测量反应过程中产生的甲醇量来确定转化率。根据实验结果提出了动力学模型。结果表明,该酯交换反应为一级反应。表观活化能(Ea)随着催化剂浓度从0.1 wt%增加到0.5 wt%而显著降低。当催化剂浓度为0.1 wt%、0.3 wt%和0.5 wt%时,反应的Ea分别为102.13、84.36和70.18 kJ mol−1。此外,根据优化模型,得到了间歇式反应器最佳加热曲线的参数。
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来源期刊
CiteScore
3.30
自引率
6.70%
发文量
74
审稿时长
3 months
期刊介绍: As the leading archival journal devoted exclusively to chemical kinetics, the International Journal of Chemical Kinetics publishes original research in gas phase, condensed phase, and polymer reaction kinetics, as well as biochemical and surface kinetics. The Journal seeks to be the primary archive for careful experimental measurements of reaction kinetics, in both simple and complex systems. The Journal also presents new developments in applied theoretical kinetics and publishes large kinetic models, and the algorithms and estimates used in these models. These include methods for handling the large reaction networks important in biochemistry, catalysis, and free radical chemistry. In addition, the Journal explores such topics as the quantitative relationships between molecular structure and chemical reactivity, organic/inorganic chemistry and reaction mechanisms, and the reactive chemistry at interfaces.
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