Identifying the time-dependent predominance regimes of step and terrace sites for the Fischer–Tropsch synthesis on ruthenium based catalysts

2016 ◽  
Vol 6 (17) ◽  
pp. 6495-6503 ◽  
Author(s):  
Dalia Liuzzi ◽  
Francisco J. Pérez-Alonso ◽  
F. Javier García-García ◽  
Federico Calle-Vallejo ◽  
José Luis G. Fierro ◽  
...  
Keyword(s):  
Active Sites ◽  
Tropsch Synthesis ◽  
Step Edge ◽  
Time Dependent ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis ◽  
Co Dissociation

Two types of active sites for CO dissociation exist in Ru particles. Step-edge sites deactivate during reaction.

scholarly journals Theoretical Study of CO Adsorption and Activation on Orthorhombic Fe7C3(001) Surfaces for Fischer–Tropsch Synthesis Using Density Functional Theory Calculations

Energies ◽  
2021 ◽  
Vol 14 (3) ◽  
pp. 563
Author(s):  
Hee-Joon Chun ◽  
Yong Tae Kim
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Co Adsorption ◽  
Density Functional Theory Calculations ◽  
Tropsch Synthesis ◽  
Fischer Tropsch ◽  
Functional Theory ◽  
Fischer Tropsch Synthesis ◽  
Co Dissociation ◽  
Co Activation

Fischer–Tropsch synthesis (FTS), which converts CO and H2 into useful hydrocarbon products, has attracted considerable attention as an efficient method to replace crude oil resources. Fe-based catalysts are mainly used in industrial FTS, and Fe7C3 is a common carbide phase in the FTS reaction. However, the intrinsic catalytic properties of Fe7C3 are theoretically unknown. Therefore, as a first attempt to understand the FTS reaction on Fe7C3, direct CO* dissociation on orthorhombic Fe7C3(001) (o-Fe7C3(001)) surfaces was studied using density functional theory (DFT) calculations. The surface energies of 14 terminations of o-Fe7C3(001) were first compared, and the results showed that (001)0.20 was the most thermodynamically stable termination. Furthermore, to understand the effect of the surface C atom coverage on CO* activation, C–O bond dissociation was performed on the o-Fe7C3(001)0.85, (001)0.13, (001)0.20, (001)0.09, and (001)0.99 surfaces, where the surface C atom coverages were 0.00, 0.17, 0.33, 0.33, and 0.60, respectively. The results showed that the CO* activation linearly decreased as the surface C atom coverage increased. Therefore, it can be concluded that the thermodynamic and kinetic selectivity toward direct CO* dissociation increased when the o-Fe7C3(001) surface had more C* vacancies.

Fischer-Tropsch Synthesis over Co/SiO2 Catalysts Modified with Ethylenediamine

2012 ◽  
Vol 512-515 ◽  
pp. 2143-2146
Author(s):  
Yue Lun Wang ◽  
Bo Hou ◽  
De Bao Li ◽  
Jian Gang Chen ◽  
Yu Han Sun
Keyword(s):  
Active Sites ◽  
Cobalt Nanoparticles ◽  
Tropsch Synthesis ◽  
Molar Ratio ◽  
Chain Growth ◽  
Light Hydrocarbons ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis ◽  
Dispersed Catalysts ◽  
Highly Dispersed

The influence of ethylenediamine (en)/Co molar ratio on the preparation of Co/SiO2catalysts was studied. The decomposition of these Co-en species resulted in the formation of small cobalt nanoparticles. The highly dispersed catalysts led to lower FT activity due to an increase of cobalt-silica interaction except Co(en)2/SiO2catalyst. Meanwhile, higher selectivity for light hydrocarbons was observed, which was ascribed that smaller cobalt particles containing active sites depressed the chain growth.

Site regeneration in the Fischer–Tropsch synthesis reaction: a synchronized CO dissociation and C–C coupling pathway

2011 ◽  
Vol 47 (35) ◽  
pp. 9822 ◽  
Author(s):  
Sharan G. Shetty ◽  
Ionel M. Ciobîcă ◽  
Emiel J. M. Hensen ◽  
Rutger A. van Santen
Keyword(s):  
Tropsch Synthesis ◽  
Synthesis Reaction ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis ◽  
Co Dissociation

Role of CoO-Co nanoparticles supported on SiO2 in Fischer-Tropsch synthesis: Evidence for enhanced CO dissociation and olefin hydrogenation

2021 ◽  
Vol 216 ◽  
pp. 106781
Author(s):  
Nothando C. Shiba ◽  
Yali Yao ◽  
Roy P. Forbes ◽  
Chike G. Okoye-Chine ◽  
Xinying Liu ◽  
...  
Keyword(s):  
Tropsch Synthesis ◽  
Fischer Tropsch ◽  
Olefin Hydrogenation ◽  
Fischer Tropsch Synthesis ◽  
Co Dissociation ◽  
Co Nanoparticles
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