基于Chemkin乙醇部分氧化重整制氢的热力学分析

Thermodynamic analysis of hydrogen production by partial oxidation reforming of ethanol based on Chemkin

基于化学反应计算分析软件Chemkin,利用最小吉布斯自由能最小法,分析乙醇部分氧化重整制氢反应热力学平衡时的组成,以及在温度500~2000 K、压力50~400 kPa、氧醇物质的量比0~2.0条件下计算平衡组成的变化规律。计算结果表明,平衡组成受温度和氧醇比的影响较为显著。在温度1100 K、压力120 kPa、氧醇比0.60的最优操作条件下能得到较好的重整效果。

Based on the chemical reaction calculation and analysis software Chemkin,the thermodynamic equilibrium composition of hydrogen production by partial oxidation reforming of ethanol is analyzed by using Gibbs free energy minimization method.The variation of equilibrium components is calculated under the conditions of temperature from 500 K to 2000 K,pressure from 50 to 400 kPa and oxygen to alcohol molar ratio from 0 to 2.0.The result of calculations shows that the equilibrium composition is significantly affected by temperature and oxygen to alcohol molar ratio.Under the optimal operating conditions of 1100 K,120 kPa,and oxygen to alcohol molar ratio of 0.60,better reforming effects can be obtained.