燃料化学学报（中英文）2023，Vol.51Issue(4)：482-491,10.DOI:10.1016/S1872-5813(23)60346-9
水煤气变换反应作用下的CO和CO2混合物加氢转化制烃和醇——热力学平衡研究
Conversion of the CO and CO2 mixture to alcohols and hydrocarbons by hydrogenation under the influence of the water-gas shift reaction,a thermodynamic consideration
摘要
Abstract
Due to the intervention from the water-gas shift(WGS)reaction(or the reverse one(RWGS)),the hydrogenation of CO(or CO2)into alcohols and hydrocarbons often displays rather high selectivity to CO2(or CO),which makes it rather puzzling to evaluate such conversion processes by using the relatively low selectivity to the target products.Herein,a thermodynamic consideration is made to elaborately evaluate the effect of the WGS/RWGS reaction on the hydrogenation of CO,CO2,and their mixture to typical alcohols(e.g.methanol)and hydrocarbons(e.g.ethene).The results indicate that for the hydrogenation of CO(or CO2),although the WGS(or RWGS)reaction,acting as a communicating vessel connecting CO and CO2,may have a severe influence on the equilibrium conversion of CO(or CO2),forming a large amount of CO2(or CO),it only has a relatively minor impact on the C-based equilibrium yield of the target alcohol/hydrocarbon product.The hydrogenation of CO shows a higher C-based equilibrium yield for the target product than the hydrogenation of CO2,while the overall C-based equilibrium yield of target product for the hydrogenation of the CO and CO2 mixture just lies in between.For the hydrogenation of the CO and CO2 mixture,although the equilibrium conversion of CO and CO2 may vary greatly with the change in the feed composition,the relation between the overall C-based equilibrium yield of the target product and the feed composition is rather simple;that is,the overall C-based equilibrium yield of alcohol/hydrocarbon product decreases almost lineally with the increase of the CO2/(CO+CO2)molar ratio in the feed.These results strongly suggest that the mixture of CO and CO2 is credible in practice for the production of alcohols and hydrocarbons through hydrogenation,where the overall C-based yield should be used as the major index for the hydrogenation of CO,CO2,and their mixture.关键词
热力学平衡/CO2 加氢/CO加氢/水煤气变换/总碳基收率/甲醇/乙烯/CO和CO2 混合物Key words
thermodynamic consideration/CO2 hydrogenation/CO hydrogenation/water-gas shift reaction/overall C-based yield/methanol/ethene/CO and CO2 mixture分类
化学化工引用本文复制引用
郭淑佳,王晗,秦张峰,李志凯,王国富,董梅,樊卫斌,王建国..水煤气变换反应作用下的CO和CO2混合物加氢转化制烃和醇——热力学平衡研究[J].燃料化学学报（中英文）,2023,51(4):482-491,10.基金项目
The project was supported by the National Key Research and Development Program of China(2020YFB0606404)and National Natural Science Foundation of China(21991092,22272195,U2003123,U1910203). （2020YFB0606404）
