二氧化碳与甲醇合成碳酸二甲酯反应的热力学探讨

用二氧化碳与甲醇直接反应合成碳酸二甲酯是一条极具挑战性的路线。本文通过对甲醇与二氧化碳直接合成碳酸二甲酯反应过程中热力学函数ΔrH和ΔrG的估算,得到的结果表明在有限的反应条件下该反应在热力学上是不可行的。同时,通过对在反应体系中加入第三种物质改变碳酸二甲酯合成反应途径的反应热力学分析,提出了寻找新型耦合剂来改变合成反应热力学的新思路。

Thermodynamics of Dimethyl Carbonate Synthesis from Carbon Dioxide and Methanost

The synthesis of dimethyl carbonate(DMC) from carbon dioxide and methanol is a very challenging route.The thermodynamics of this reaction was investigated by estimating ΔrH and ΔrG of the reaction at different temperatures and pressures.The result showed that the reaction does not occur spontaneously under finite conditions in view of thermodynamics.At the same time,through the thermodynamic discussion for the new synthetic reaction,in which the reaction route is changed by addition of the third substance,a general conclusion was obtained that the subroutine nesting of a coupling reaction is an effective method to increase the yield of DMC synthesis from carbon dioxide and methanol.