A First-Principle Study of Chain Propagation Steps in the Fischer−Tropsch Synthesis on Fe(100)

2008 ◽  
Vol 112 (35) ◽  
pp. 13681-13691 ◽  
Author(s):  
John M. H. Lo ◽  
Tom Ziegler
Reactions ◽  
2021 ◽  
Vol 2 (2) ◽  
pp. 161-174
Author(s):  
Liping Zhou ◽  
Junhu Gao ◽  
Xu Hao ◽  
Yong Yang ◽  
Yongwang Li

Fischer–Tropsch synthesis (FTS) produces hundreds of hydrocarbons and oxygenates by simple reactants (CO + H2) and the detailed chain propagation mechanism is still in dispute. An industrial iron-based catalyst was used to further clarify the mechanism by adding aldehyde, alcohol and alkene species into a fixed-bed tubular reactor. The added species were investigated in H2 and syngas atmospheres, respectively. 1-alkene in the H2 atmosphere presented an obvious hydrogenolysis, in which the produced C1 species participated in C–C bond formation simultaneously. Co-feeding Cn alkene with syngas showed remarkable Cn+1 alcohol selectivity compared to the normal FTS reaction. In addition, the carbonyl group of aldehyde was extremely unstable over the iron-based catalyst and could easily be hydrogenated to an alcohol hydroxyl group, which could even undergo dehydration for hydrocarbon species formation. Experimental data confirmed that both heavier alkenes and alcohols added can be converted to chain growth intermediates and then undergo monomer insertion for chain propagation. These results provide strong evidence that the chain propagation in the FTS reaction is simultaneously controlled by the surface carbide mechanism and the CO insertion mechanism, with surface CHx species and CO as monomers, respectively. The study is of guiding significance for FTS mechanism understanding and kinetic modeling.


2018 ◽  
Vol 453 ◽  
pp. 55-63 ◽  
Author(s):  
José G. Rivera de la Cruz ◽  
Maarten K. Sabbe ◽  
Marie-Françoise Reyniers

1998 ◽  
Vol 173 (2) ◽  
pp. 355-365 ◽  
Author(s):  
Ruhksana Quyoum ◽  
Valerio Berdini ◽  
Michael L. Turner ◽  
Helen C. Long ◽  
Peter M. Maitlis

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

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