Studies on the reaction mechanism of the Fischer–Tropsch synthesis on iron and cobalt

Gaube, Johann; Klein, Hans‐Friedrich

doi:10.1016/j.molcata.2007.11.028

Cited by 117 publications

(77 citation statements)

References 29 publications

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“…1b) [27]. This mechanism could explain the formation of oxygenates [20], something that the CH 2 insertion mechanism could not. DFT calculations have shown that the CH 2 species is the C 1 species with the lowest stability on metal surfaces (Co and Ru) [28,29] and that CH 2 ?…”

Section: Introductionmentioning

confidence: 94%

“…The CH 2 insertion mechanism [19,20] originally suggested by Fischer and Tropsch implies that C ? C coupling is achieved through the polymerization of CH 2 intermediates on the surface (Fig.…”

Section: Introductionmentioning

confidence: 99%

“…1 The mechanisms of the FT synthesis reaction. a CH 2 insertion [19,20], b CO insertion proposed by Pichler and Schulz [26,27], and c oxygenate (enol) [14,19,32]. All diagrams have been reproduced from the corresponding references.…”

Section: Introductionmentioning

confidence: 99%

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Development of a kinetic model of the Fischer–Tropsch synthesis reaction with a cobalt-based catalyst

Kwack

Park

Bae

et al. 2011

Reac Kinet Mech Cat

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A kinetic model of cobalt-based Fischer-Tropsch synthesis was developed through the detailed kinetic study of the reaction mechanism. Experimental evidence and previously reported theoretical analyses were used to suggest the mechanism and derive reaction rates for the formation of hydrocarbon products by applying the equilibrium constants of the adsorbents and the quasi steady state assumption to intermediate species on the surface of the catalyst. The comparison between experimental data and simulated results with kinetic parameters validated the effectiveness of the developed model. Further analysis showed that temperature and H 2 /CO ratio significantly influenced the entire distribution of hydrocarbon products. The effects of operating conditions were also predicted in accordance with previous work, thus demonstrating that the developed model can contribute to a better understanding of the kinetic mechanism of FT synthesis.

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Section: Introductionmentioning

confidence: 94%

Section: Introductionmentioning

confidence: 99%

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Development of a kinetic model of the Fischer–Tropsch synthesis reaction with a cobalt-based catalyst

Kwack

Park

Bae

et al. 2011

Reac Kinet Mech Cat

View full text Add to dashboard Cite

show abstract

“…Cobalt catalysts in the FT process do not make aromatics 44 (they are only produced using iron catalysts, and even then are thought to be secondary products 45 ) and so these are unlikely to be due to benzene ring species.…”

Section: Predominantly Internal Alkenes (-Ch=ch-) Rather Than Terminamentioning

confidence: 99%

1H and 13C solution- and solid-state NMR investigation into wax products from the Fischer–Tropsch process

Speight

Rourke

Wong

et al. 2011

Solid State Nuclear Magnetic Resonance

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H and 13C solid-and solution-state NMR have been used to characterise waxes produced in the Fischer-Tropsch reaction, using Co-based catalysts either unpromoted or promoted with approximately 1 wt% of either cerium or rhenium. The aim was to measure average structural information at the submolecular level of the hydrocarbon waxes produced, along with identification of the minor products, such as oxygenates and olefins, which are typically observed in these waxes. A parameter of key interest is the average number of carbon atoms within the hydrocarbon chain (N C ). A wax prepared using an unpromoted Co/Al 2 O 3 catalyst had N C ~20, whilst waxes made using rhenium-or cerium-promoted Co/Al 2 O 3 catalysts were found to both have N C ~21. All three samples contained small amounts of oxygenates and alkenes. The subtle differences found in the waxes, in particular the minor species produced, demonstrate that the different promoters have different effects during the reaction, with the Re-promoted catalyst producing the fewest by-products. From a technique point of view it is shown that the longer chain (compared to the lengths of chain in previous studies) waxes that the lack of resolution and the complexities added by the differential cross-polarisation (CP) dynamics mean that it is difficult to accurately determine N c from this approach. However the N c determined by 13 C CP magic angle spinning NMR is broadly consistent with the more accurate solution approaches used and suggest that the wax characteristics do not change in solution.On this basis an alternative approach for determining N c is suggested based on 1 H solution state NMR that provides a higher degree of accuracy of the chain length as well as information on the minor constituents.3

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“…Some authors assumed that the FT chain growth is controlled by two different mechanisms, therefore requiring two chain growth probabilities. 5 Others like Iglesia et al 6 and Kuipers et al 7 attributed this behavior to the readsorption of the produced 1-olefins and the resulting initiation of new chains. The approach of Lox and Froment was adopted and extended by Bo-Tao Teng and coworkers 8 who incorporated olefin readsorption in the rival models to account for deviations of the behavior originally suggested by Schulz and Flory and recently also by Todic et al, 9 be it on a repromoted Co catalyst.…”

Section: Introductionmentioning

confidence: 99%

Advanced fundamental modeling of the kinetics of Fischer–Tropsch synthesis

Zhou

Froment²,

Yang

et al. 2016

AIChE Journal

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The kinetic modeling of Fischer-Tropsch Synthesis on an iron catalyst starting from experimental data collected in a spinning basket reactor and proceeding through the Single Event approach to limit the number of independent parameters is reported. The elementary steps are based on the carbide mechanism with hydrogen assisted CO insertion and CH 2 as the growth monomer. The evolution with the chain length of alkane-, alkene-, and alcohol-selectivities in the synthesis product and their exponential-like behavior is fundamentally generated by accounting for the effect of the structure of reactants and transition state intermediates on the rate coefficients. The olefin readsorption is included in the model but its influence on the product distribution is found to be negligible.

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Studies on the reaction mechanism of the Fischer–Tropsch synthesis on iron and cobalt

Cited by 117 publications

References 29 publications

Development of a kinetic model of the Fischer–Tropsch synthesis reaction with a cobalt-based catalyst

Development of a kinetic model of the Fischer–Tropsch synthesis reaction with a cobalt-based catalyst

1H and 13C solution- and solid-state NMR investigation into wax products from the Fischer–Tropsch process

Advanced fundamental modeling of the kinetics of Fischer–Tropsch synthesis

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