摘要
用Benson基团贡献法计算了碳酸二甲酯(DMC)和丙醇酯交换合成碳酸甲丙酯(MPC)反应相关物质的标准摩尔生成焓△fH0m、标准摩尔生成自由能△fG0m和等压摩尔热容Cp,m;计算了300～800K反应温度内主副反应的焓变△rHm、自由能变化△rGm、和平衡常数Kp。结果表明:合成MPC的反应是热力学上有利的反应,并且高温有利于反应的进行;副产物碳酸二丙酯(DPC)通过MPC和丙醇的进一步酯交换反应生成,从而为合成反应条件的控制提供了热力学依据。
The standard enthalpy of formation, free energy and heat capacity of the substances in the synthesis of methyl proply carbonate （MPC） from dimethyl carbonate （DMC） and propanol were calculated based on the Benson group contribution method. The thermodynamic data for the main and side reactions were then calculated and discussed at the temperature range of 300-800K. The results indicated that the MPC synthesis via transesterificaton is thermodynamically feasible and occurs more readily at high temperature. The side product dipropyl carbonate （DPC） was formed through the further transesterificaton of MPC with propanol. This thermodynamic analysis underlay the reaction condition choice of the MPC synthesis.
出处
《天然气化工—C1化学与化工》
CAS
CSCD
北大核心
2008年第3期19-21,25,共4页
Natural Gas Chemical Industry
基金
重大基础研究前期研究专项(2002CCC01100)
关键词
碳酸甲丙酯合成
MPC
碳酸二甲酯
DMC
丙醇
酯交换反应
热力学分析
methyl propyl carbonate synthesis
MPC
dimethyl cabonate
DMC
propanol
transesterificaton
thermodynamic analysis
