甲醇与碳酸乙烯酯反应体系热力学分析

Thermodynamics Analysis on Reaction System of Methanol and Ethylene Carbonate

用基团贡献法计算了碳酸乙烯酯及部分碳酸二甲酯的热力学数据。通过对甲醇和碳酸乙烯酯酯交换反应合成碳酸二甲酯理想状态下气-液反应平衡常数的计算,可以得出:副反应的反应热力学推动力极小,在反应竞争中没有优势;主反应是吸热反应,温度高有利于反应向正方向进行;副反应是放热反应,低温有利于副反应进行。

Thermodynamics data of ethylene carbonate and part of dimethyl carbonates were calculated with group contribution. From calculating gas-liquid reaction equilibrium constant of synthesis of dimethyl carbonate with methanol and ethylene carbonate transesterification in ideal state, we can draw a conclusion that the impetus of re- action thermodynamics of side reaction was mighty small without advantage in reaction competition. Main reaction was heat absorbing reaction and high temperature was favourable for positive direction; side reaction was exothermal reaction and low temperature was favourable for side reaction.