乙酸甲酯水蒸气重整制合成气热化学平衡分析

Analysis of thermochemical equilibrium for syngas production via methyl acetate steam reforming

采用Gibbs自由能最小化法对乙酸甲酯（MC）水蒸气重整制合成气反应进行热化学平衡计算，考察了温度、水酯比（n（H2O）：n（MC））和压力等因素对MC水蒸气重整制合成气反应产物的影响。实验结果表明，随温度升高，合成气含量明显增大，氢碳比（n（H2）：n（CO））、CH4和CO2含量则减小，在800～1000℃时，合成气含量达最大，氢碳比较稳定，有利于合成气的制备；在温度大于800℃时，随水酯比的增加，合成气含量先增大后减小，在水酯比为4时较为适宜；随压力增加，合成气含量减小，CH4和CO2含量增加，低压有利于合成气的制备。在800～1000℃、水酯比为4、常压条件下，MC水蒸气重整制合成气含量可达86％（φ）。

The thermochemical equilibrium of the syngas production through methyl acetate steam reforming was calculated by the Gibbs free energy minimization method. The effects of temperature, ratio of water to methyl acetate and pressure on the product composition were investigated. The results showed that, with temperature rise, the syngas content in the products increased obviously, and the ratio of H2 to CO, CH4 content and CO2 content decreased. In the temperature range of 800- 1 000 ℃, the syngas content reached maximum and the ratio of H2 to CO was relatively stable, which was beneficial to the syngas production. Above 800 ℃, the syngas content firstly increased and then decreased with increasing the ratio of water to methyl acetate and the suitable ratio was 4. With pressure rise, the syngas content in the products decreased, the CH4 and CO2 contents increased, and low reaction pressure was favorable to the syngas production. Under the conditions of 800-1 000 ℃, ratio of water to methyl acetate 4 and normal pressure, the syngas content could reach 86%（φ）.