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

Ethanol synthesis from CH 4 and syngas on a Cu-Co/TiO 2 catalyst is studied using experiments, density functional theory (DFT) and microkinetic modelling. The experimental results indicate that the active sites of ethanol synthesis from CH 4 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 *CH 3 is the most abundant species and can be formed from *CH 4 dehydrogenation or through the process of *CO hydrogenation. Next, the insertion of *CO into *CH 3 forms *CH 3 CO. Finally, ethanol is formed through *CH 3 CO and *CH 3 COH 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 CH 4 and syngas on a Cu-Co/TiO 2 catalyst.