Theoretical insights into the formation mechanism of methane, ethylene and methanol in Fischer‐Tropsch synthesis at Co2C surfaces

ChemCatChem ◽  
2021 ◽  
Author(s):  
Jeremie Zaffran ◽  
Bo Yang
Keyword(s):  
Formation Mechanism ◽  
Tropsch Synthesis ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis

CO2 formation mechanism in Fischer–Tropsch synthesis over iron-based catalysts: a combined experimental and theoretical study

2018 ◽  
Vol 8 (20) ◽  
pp. 5288-5301 ◽  
Author(s):  
Bing Liu ◽  
Wenping Li ◽  
Jiao Zheng ◽  
Qiang Lin ◽  
Xin Zhang ◽  
...  
Keyword(s):  
Formation Mechanism ◽  
Theoretical Study ◽  
Tropsch Synthesis ◽  
Boudouard Reaction ◽  
Predominant Role ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis ◽  
Wgs Reaction ◽  
Iron Based ◽  
Iron Based Catalysts

Our investigation has unveiled that the Boudouard reaction rather than the WGS reaction plays a predominant role in CO2 formation over iron-based FTS catalysts.

Insight into the preferred formation mechanism of long-chain hydrocarbons in Fischer–Tropsch synthesis on Hcp Co(10−11) surfaces from DFT and microkinetic modeling

2017 ◽  
Vol 7 (17) ◽  
pp. 3758-3776 ◽  
Author(s):  
Hongxia Liu ◽  
Riguang Zhang ◽  
Lixia Ling ◽  
Qiang Wang ◽  
Baojun Wang ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Formation Mechanism ◽  
Tropsch Synthesis ◽  
Chain Growth ◽  
Microkinetic Modeling ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis ◽  
Insight Into ◽  
Long Chain

DFT calculations, together with microkinetic modeling, have been employed to probe into the preferred mechanism of hydrocarbon C–C chain growth on Co(10−11) surfaces during Fischer–Tropsch synthesis.

The Development of Cobalt-Based Catalysts for Fischer-Tropsch Synthesis

2010 ◽  
Vol 31 (8) ◽  
pp. 919-927 ◽  
Author(s):  
Yuhan SUN ◽  
Jiangang CHEN ◽  
Jungang WANG ◽  
Litao JIA ◽  
Bo HOU ◽  
...  
Keyword(s):  
Tropsch Synthesis ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis
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