Efficient Synthesis of Ethanol from CH4and Syngas on a Cu-Co/TiO2Catalyst Using a Stepwise Reactor.
Ethanol synthesis from CH4and syngas on a Cu-Co/TiO2catalyst is studied using experiments, density functional theory (DFT) and microkinetic modelling. The experimental results indicate that the active sites of ethanol synthesis from CH4and 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 *CH3is the most abundant species and can be formed from *CH4dehydrogenation or through the process of *CO hydrogenation. Next, the insertion of *CO into *CH3forms *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 CH4and syngas on a Cu-Co/TiO2catalyst.
Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China.
Zhi-Jun
ZJ
Zuo
Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China.|Key Laboratory of Renewable Energy and Gas Hydrate, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou, China.
Fen
F
Peng
Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China.
Wei
W
Huang
J Chem Phys. 2009 Nov 7;131(17):174702
19895030
J Am Chem Soc. 2009 Sep 16;131(36):13054-61
19702298
Sci Rep. 2014 Nov 27;4:7225
25428459
Chem Soc Rev. 2007 Sep;36(9):1514-28
17660882
Phys Chem Chem Phys. 2015 Apr 28;17(16):11088-94
25826462
J Phys Chem B. 2006 May 25;110(20):9976-83
16706455
J Phys Chem B. 2010 Nov 18;114(45):14458-66
20704288
Sci Rep. 2016 Feb 26;6:21990
26915303
Phys Rev B Condens Matter. 1996 Apr 15;53(16):R10441-R10444
9982701
Phys Rev B Condens Matter. 1993 Dec 15;48(24):17703-17714
10008400
Phys Rev B Condens Matter. 1992 Jun 15;45(23):13244-13249
10001404
J Am Chem Soc. 2008 Aug 20;130(33):10868-9
18651740