摘要
用Benson基团贡献法计算了碳酸二甲酯的热力学数据△Hf0、△Gf0和热容Cp。对甲醇氧化羰基化合成DMC的过程进行了热力学分析。着重计算了合成反应的平衡常数和平衡转化率。讨论了合成反应的最佳条件,以及避免各种副反应发生的可能性,为甲醇氧化羰基化合成碳酸二甲酯过程的设计和催化剂的研究提供了热力学数据。
The standard heat of formation, free energy and heat capacity of dimethyl carbonate(DMC) are calculated by the method of group contribution. A thermodynamic analysis of synthesis process of DMC by oxidation car-bonylation of methanol was carried out with the emphasis on calculations of equilibrium constants and conversions for the reaction. The optimum reation conditions for synthysis of DMC and the possibility to eliminate various side reactions were also investigated to provide the thermodynamic basis for the design of synthesis process of DMC and the development of catalysts thereof.
出处
《天然气化工—C1化学与化工》
CAS
CSCD
北大核心
2003年第1期45-49,共5页
Natural Gas Chemical Industry
基金
山西省归国留学基金
山西省自然科学基金资助
