He Yiming, Liu Shuilian, Fu Weijie, Wang Cheng, Mebrahtu Chalachew, Sun Ruiyan, Zeng Feng
State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, Nanjing 211816 Jiangsu, China.
School of Pharmacy, Changzhou University, Changzhou 213164 Jiangsu, China.
ACS Omega. 2022 May 2;7(19):16502-16514. doi: 10.1021/acsomega.2c00502. eCollection 2022 May 17.
Synthesis of higher alcohols (COH) by CO hydrogenation presents a promising way to convert CO into value-added fuels and chemicals. Understanding the thermodynamics of CO hydrogenation is of great importance to tailor the reaction network toward synthesis of higher alcohols; however, the thermodynamic effects of various alcohol isomers and methane in the reaction system have not yet been fully understood. Thus, we used Aspen Plus to perform thermodynamic analysis of CO hydrogenation to higher alcohols, studying the effects of alcohol isomers and methane. Thermodynamically, methane is the most favorable product in a reaction system containing CO, CO, and H, as well as C alkanes, alkenes, and alcohols. The thermodynamic favorability of alcohol isomers varies significantly. The presence of methane generally deteriorates the formation of higher alcohols. However, low temperature, high pressure, high H/CO ratio, and formation of alcohols with a longer carbon chain can reduce the effects of methane. Our current study, therefore, provides new insights for enhancing the synthesis of higher alcohols by CO hydrogenation.
通过CO加氢合成高级醇（COH）为将CO转化为增值燃料和化学品提供了一条很有前景的途径。了解CO加氢的热力学对于调整反应网络以合成高级醇非常重要；然而，反应体系中各种醇异构体和甲烷的热力学效应尚未得到充分理解。因此，我们使用Aspen Plus对CO加氢制高级醇进行了热力学分析，研究了醇异构体和甲烷的影响。从热力学角度来看，在含有CO、CO和H以及C烷烃、烯烃和醇的反应体系中，甲烷是最有利的产物。醇异构体的热力学有利性差异很大。甲烷的存在通常会降低高级醇的生成。然而，低温、高压、高H/CO比以及形成碳链更长的醇可以减少甲烷的影响。因此，我们目前的研究为通过CO加氢增强高级醇的合成提供了新的见解。
