中文摘要：

用Benson基团贡献法计算了碳酸二甲酯（DMC）的热力学数据标准摩尔生成焓△fHm^θ、标准摩尔生成青布斯自由能△fGm^θ生和等压摩尔热容Cp,m;在标准态下。300-1000K温度范围内对比了甲醇或二甲醚（DME）氧化羰化合成DMC，甲醇或DME与CO2直接合成DMC，由合成气合成DMC,DME。甲醛或甲醇这些反应的焓变△rHm^θ、吉布斯自由能变△fGm^θ量和平衡常数InK^θ．计算结果表明：在讨论的条件范围内，由DME氧化羰化合成DMC是热力学上可自发进行的反应，但DME和CO2反应合成DMC与甲醇和CO2反应合成DMC,均不能自发进行（需要通过耦合等方式来改变反应途径或重构反应体系，该反应才有可能进行）．此计算将为合成DMC的反府路线设计以及新催化剂体系的探索提供热力学依据。

英文摘要：

The standard enthalpy of formation, free energy and thermal capacity of dimethyl carbonate （DMC） were calculated by using the method of Benson group contributions. The thermodynamic data of various syntheses of DMC were compared at different tempartures. The syntheses induded oxidation of methanol or dimethyl ether, reaction of methanol or dimethyl ether with CO2, and preparations of DMC DME, formaldehyde and methanol from H2 and CO. The results showed that the synthesis of DMC by oxidation earbonylation of DME is thermodynamically feasible, but the syntheses of DMC from DME and CO2 and from methanol and CO2 and are all thermodynarmically unfeasible.These results provided the thermodynamic basis to design the synthesis process and catalyst for DMC.