CO2加氢合成C1—C5醇反应体系热力学分析

Thermodynamic Analysis of C_1-C_5 Alcohols Synthesis from CO_2 Hydrogenation

对CO2加氢合成C1～C5醇反应体系进行了热力学分析.反应体系中各独立反应的吉布斯自由能变化分析表明,较低的反应温度对C1～C5醇的生成有利.采用最小G值法计算得到不同温度、压力、进料氢与CO2摩尔比下体系的平衡组成、醇的平衡收率及CO2和H2的平衡转化率,并讨论了反应条件对反应的影响.此热力学分析可以为评价C1～C5醇合成催化剂的催化效果以及确定CO2加氢合成C1～C5醇的工艺条件提供重要依据.

A thermodynamic analysis was performed in synthesis of C1-C5 alcohols from CO2 hydrogenation. Analysis of standard Gibbs free energy changes of every independent reaction in this system indicated that lower reaction temperatures were of advantage to formation of C1-C5 alcohols. Chemical equilibrium compositions of reaction system, equilibrium yields of alcohols and equilibrium conversions of reactants at different temperatures, pressures and n(H2) : n(CO2) were obtained by minimizing Gibbs free energy. In order to study influential factors, effects of n(H2) : n(CO2), temperature and pressure on equilibrium compositions in system, equilibrium yields of alcohols and conversions of reactants were analyzed. The thermodynamic analysis could be used to evaluate catalytic performances and could further direct development of catalysts. Besides, it was an important foundation for ascertaining technological conditions of this reaction system.