离子液体介导CO2活化合成DMC

Jun Du, Jing Shi, Zhengfei Li, Zuohua Liu, Xing Fan, Changyuan Tao
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引用次数: 11

摘要

在离子液体存在下,微波照射下,在K2CO3/CH3I催化剂上,甲醇与CO2催化合成碳酸二甲酯(DMC)。研究了微波辐照下离子液体掺入对DMC收率的影响。DMC在较低的温度和较短的时间内形成,表明离子液体的催化作用增强。在所使用的离子液体中,1-丁基-3-甲基咪唑氯是最有效的促进剂。密度泛函理论计算表明,离子液体与CO2的分子相互作用改变了CO2的键长和键角,使CO2分子活化,从而加快了反应速率。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Ionic liquid mediated CO2 activation for DMC synthesis

Promoted catalytic reaction between methanol and CO2 for dimethyl carbonate (DMC) synthesis is conducted over K2CO3/CH3I catalyst in the presence of ionic liquid under microwave irradiation. The effect of ionic liquids incorporated with microwave irradiation on the yield of DMC is investigated. DMC was found to form at lower temperature in a relative short time, which indicated an enhanced catalytic process by ionic liquid. Among the ionic liquids used, 1-butyl-3-methylimidazolium chloride is the most effective promoter. Density functional theory calculations indicate that CO2 bond lengths and angles changed due to the molecular interaction of ionic liquid and CO2, resulting in the activation of CO2 molecules and consequently the acceleration of reaction rate.

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来源期刊
Journal of Natural Gas Chemistry
Journal of Natural Gas Chemistry 化学-工程:化工
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