【摘要】 用Benson基团贡献法计算了氨基甲酸甲酯的热力学数据标准生成焓ΔfH0m、标准生成自由能ΔfG0m和热容Cp,m。通过对尿素和甲醇合成氨基甲酸甲酯反应的反应焓变ΔrH0m、自由能变化ΔrG0m以及平衡常数K0的计算分析表明,该反应在常温常压下是非自发过程。当温度高于400K时,反应能自发进行,且温度越高反应平衡常数越大。更多还原

【Abstract】 The standard heat of formation, free energy and heat capacity of methyl carbamate(MC)are calculated by the method of group contribution discovered by Benson S W. Then, the heat change and free energy change of the reaction and the equilibrium constant K~0 are evaluated according to the chemical thermodynamics principle. The conclusion is that at a pressure of 0.1MPa and temperature of 25℃,the synthesis of MC by alcoholizing urea with methanol is not thermodynamically favorable. However, when the temperature is higher than 400K, the reaction is admirable.更多还原