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。
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.
出处
《天然气化工—C1化学与化工》
CAS
CSCD
北大核心
2004年第5期71-73,共3页
Natural Gas Chemical Industry
基金
浙江省科技计划项目2 0 0 4C3 1 0 53
浙江丰登化工股份有限公司资助
关键词
尿素
甲醇
氨基甲酸甲酯
基团贡献法
热力学
urea
methanol
methyl carbamate
group contribution
thermodynamics
