Efficient Synthesis of Ethanol from CH₄ and Syngas on a Cu-Co/TiO₂ Catalyst Using a Stepwise Reactor

Ethanol synthesis from CH₄ and syngas on a Cu-Co/TiO₂ catalyst is studied using experiments, density functional theory (DFT) and microkinetic modelling. The experimental results indicate that the active sites of ethanol synthesis from CH₄ and syngas are Cu and CoO, over which the ethanol selectivity is approximately 98.30% in a continuous stepwise reactor. DFT and microkinetic modelling results show that *CH₃ is the most abundant species and can be formed from *CH₄ dehydrogenation or through the process of *CO hydrogenation. Next, the insertion of *CO into *CH₃ forms *CH₃CO. Finally, ethanol is formed through *CH₃CO and *CH₃COH hydrogenation. According to our results, small particles of metallic Cu and CoO as well as a strongly synergistic effect between metallic Cu and CoO are beneficial for ethanol synthesis from CH₄ and syngas on a Cu-Co/TiO₂ catalyst.