氧化羰基化法合成碳酸二苯酯过程热力学分析

Thermodynamic Analysis for the Synthesis of Diphenyl Carbonate by Oxidative Carbonylation of Phenol with CO and O_2

采用Benson基团贡献法,对氧化羰基化法合成碳酸二苯酯(DPC)的反应焓变、反应熵变、吉布斯自由能变及平衡常数进行热力学估算。结果表明:此反应为一放热反应,较低的反应温度对其有利;热力学平衡常数比较大,此反应有向正方向自发进行的趋势。

The reaction heat, reaction entropy change, Gibbs free energy change and equilibrium constant for synthesis of diphenyl carbonate （DPC） by oxidative earbonylation of phenol with CO and O2 were calculated by using Benson group contribution method. The results show that the oxidative carbonylation is an exothermic reaction and lower temperature is favorable for the synthesis of DPC. Equilibrium constant is relatively high, which indicates that the reaction has a trend to the direction of producing DPC.