甲醇、二甲醚共进料气相氧化羰基化合成碳酸二甲酯的热力学分析  

Thermodynamic Analysis for the Synthesis of Dimethyl Carbonate by Vapor Phase Oxidation Carbonylation of Methanol and Dimethyl Ether

作　　者：王文进[1] 方奕文[1] 宋一兵[1] 郭锐华[1] 吴燕青[1] 

机构地区：[1]汕头大学工业催化研究室,广东汕头515063

出　　处：《天然气化工—C1化学与化工》2007年第1期44-47,55,共5页Natural Gas Chemical Industry

基　　金：广东省自然科学基金资助项目(06027205)

摘　　要：用Benson基团贡献法估算了碳酸二甲酯的标准生成热△fHmθ、标准生成自由能△fGmθ和摩尔等压热容Cp,m。计算不同温度下的甲醇氧化羰基化反应和二甲醚水解反应的标准摩尔焓变△rHmθ,进而由赫斯定律得出了二甲醚氧化羰基化反应的△rHmθ。计算上述三个反应的吉布斯自由能变△rGθ和反应平衡常数K,分析了其与温度之间的关系,为甲醇、二甲醚共进料气相氧化羰基化合成碳酸二甲酯这一路线的可行性与反应设计,提供了热力学依据。The standard heat of formation , Gibbs free energy and heat capacity of dimethyl carbonate （DMC） were calculated by Benson＇ s method of group contribution. The molar enthalpy changes of oxidation carbonylation of methanol and thehydrolysis of dimethyl ether were calculated. The molar enthalpy change of oxidation carbonylation of dimethyl ether was obtained according to the Hess＇ s Law. The Gibbs free energies and the equilibrium constants of the three reactions were investigated to provide the thermodynamic basis for the synthesis of DMC by oxidation carbonylation of methanol and dimethyl ether.

关 键 词：甲醇 二甲醚 碳酸二甲酯 基团贡献法 热力学 

分 类 号：TQ225[化学工程—有机化工]