【摘要】 针对CO₂和甲醇绿色合成碳酸二甲酯路线进行热力学计算分析。在反应压力0.1—8.0 MPa和反应温度293.15—473.15 K分别研究反应温度和反应压力对吉布斯自由能Δ_rG、平衡常数K和平衡转化率C的影响。在此基础上，以CeO₂为催化剂分别固定反应压力8.0 MPa或反应温度413.15 K,在不同反应温度或压力下进行反应，并将实验结果与热力学计算结果进行对比。结果表明：CeO₂在反应温度为373.15—473.15 K内表现出良好的催化性能，增大反应压力可以有效降低Δ_rG,并提高K和C,促进反应正向进行。此外，热力学计算结果显示，较低温度不同反应压力条件下，增加反应压力对反应平衡常数的增大更显著，且为开发高活性催化材料在较低温下催化CO₂和甲醇高效合成碳酸二甲酯提供理论参考。更多还原

【Abstract】 The green synthesis process of dimethyl carbonate from CO₂ and methanol was researched with thermodynamic calculation. The effects of reaction temperature and pressure on Gibbs free energy Δ_rG, equilibrium constant K and equilibrium conversion rate C were studied in the range of 0.1-8.0 MPa and 293.15-473.15 K. Furthermore, the effects of temperatures and pressures on the reaction performance were investigated by using CeO₂ as the catalyst at a fixed reaction pressure of 8.0 MPa or a reaction temperature of 413.15 K, and the obtained results were compared with the results of thermodynamic calculations.The results show that CeO₂ gives a good performance in the range of 373.15-473.15 K, and the increase of reaction pressure can reduce Δ_rG and increase K and C, promoting the reaction in the positive direction. In addition, thermodynamic calculations show that the reaction pressure displays a more significant effect on the equilibrium constant under the condition of lower reaction temperature with different reaction pressure, and provides a theoretical reference for the development of highly active catalytic materials to catalyze the efficient synthesis of dimethyl carbonate from CO₂ and methanol at lower temperatures.更多还原