【摘要】 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。更多还原

【Abstract】 The reaction heats,the changes of Gibbs free energy and the equilibrium constants of methyl phenol carbonate with three amines for carbamates were calculated by group contribution method. The calculated results show that the change of Gibbs free energy from the reaction of MPC with 1,6-hexandiamine was the minimum while the equilibrium constant was the maximum,providing reference to future experimental study and industrial application.更多还原