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采用基团贡献法计算了甲基苯基碳酸酯与3种胺反应合成氨基甲酸甲酯的反应热、吉布斯自由能变化和化学反应平衡常数。计算结果显示,甲基苯基碳酸酯与脂肪族的六亚甲基己二胺进行反应合成氨基甲酸甲酯的吉布斯自由能变化最小,化学反应平衡常数最大。计算结果可为将来的实验研究和工业应用提供借鉴。
The group contribution method was used to calculate the reaction heat, Gibbs free energy, and chemical reaction equilibrium constants of the methyl carbamates synthesized by the reaction of methyl phenyl carbonate with three amines. The results show that the Gibbs free energy of methyl carbamate reacted with aliphatic hexamethylene diamine is the least, and the chemical equilibrium constant is the highest. The results can provide reference for future experimental research and industrial application.