合成甲苯-2,4-二氨基甲酸甲酯反应体系的热力学分析

由2,4 二氨基甲苯与碳酸二甲酯制备甲苯 2,4 二氨基甲酸甲酯为一复合反应体系。本文用基团贡献法计算了该反应体系的反应热、吉布斯自由能变化、化学反应平衡常数。对反应原料中甲醇的含量对甲苯 2,4 二氨基甲酸甲酯收率的影响进行了计算。计算数据与文献值及试验结果比较,表明计算结果可靠,对实验室研究及工业生产都有重要的指导意义。

Thermodynamic Analysis of Synthesis of Toluene-2,4-Dicarbamate

The synthesis of toluene-2,4-dicarbamate (TDC) from 2,4-diamino toluene and dimethyl carbonate is a complex reaction system.The reaction heat,Gibbs free energy change and equilibrium constant of the reactions are calculated by methods of group contribution.The effect of methanol content in the raw material on the yield of TDC is investigated.The comparison among the estimated data,literature data and experimental data show that the results of estimation are reasonable,and the results are very important for experimental research and scale-up of the process.