Open AccessEfficient Synthesis of Ethanol from CH4 and Syngas on a Cu-Co/TiO2 Catalyst Using a Stepwise Reactor
Author(s) -
Zhijun Zuo,
Fen Peng,
Wei Huang
Publication year - 2016
Publication title -
scientific reports
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.24
H-Index - 213
ISSN - 2045-2322
DOI - 10.1038/srep34670
Subject(s) - syngas , catalysis , dehydrogenation , ethanol , selectivity , chemistry , fischer–tropsch process , density functional theory , metal , inorganic chemistry , oxygenate , chemical engineering , organic chemistry , computational chemistry , engineering
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.