Explanations of the Formation of Branched Hydrocarbons During Fischer–Tropsch Synthesis by Alkylidene Mechanism

Shi, Bingbing; Wu, Lin; Liao, Yunxin; Jin, Chunfen; Montavon, Alexandra

doi:10.1007/s11244-013-0201-4

Cited by 16 publications

(20 citation statements)

References 15 publications

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“…This mechanism has been used to explain the inverse isotope effect, the deuterium enrichment in hydrocarbons, and the formation of 1-alkenes, alkanes [15,16] and branched hydrocarbons [8]. In this study, we provide evidence to show that the formation of 2-alkenes is through a different pathway from 1-alkenes based on results of H 2 /D 2 switching experiments of FT reactions over iron catalysts.…”

Section: Introductionmentioning

confidence: 80%

“…In fact, methane could be formed through the methanation reaction. If we separate the methanation reaction from the "Fischer-Tropsch" reaction and consider the FT reaction only, the ASF equation can be rewritten as equation (1), where C H 1 is the rate of formation of C 1 monomer [8]. In the case of the alkylidene mechanism, it is M CH.…”

Section: Inverse Isotope Effect During Iron Catalyzed Ft Reactionmentioning

confidence: 99%

“…Through many years of outstanding studies, there is substantial agreement that the linear 1-alkenes and part of n-alkanes are the primary products [6][7][8][9][10][11][12][13], and the branched hydrocarbons are produced through the re-adsorption and re-growth of 1-alkene [8]. However, the formation of the internal alkenes during FT reactions is still a subject of some debate.…”

Section: Introductionmentioning

confidence: 99%

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Formation of 2-alkenes as secondary products during Fischer–Tropsch synthesis

Shi

Liao

Naumovitz

2015

Applied Catalysis A: General

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Section: Introductionmentioning

confidence: 80%

Section: Inverse Isotope Effect During Iron Catalyzed Ft Reactionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Formation of 2-alkenes as secondary products during Fischer–Tropsch synthesis

Shi

Liao

Naumovitz

2015

Applied Catalysis A: General

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“…As referred above, the addition of extra components to the traditional Fischer-Tropsch catalysts can enhance their performance by increasing the activity [30,36] and selectivity [12,31,[37][38][39], or by avoiding catalyst poisoning [32][33][34]. In this section we will show how computational methods can help in the understanding of the Fisher-Tropsch catalysis by solid catalysts.…”

Section: Computational Studies On Catalyst Surface Modelsmentioning

confidence: 99%

“…The production of olefins is favored by catalysts based on Fe-Mn-V-K [37] or based on Fe-Mn nanoparticles supported on carbon nanotubes [38]. Branched hydrocarbons can be obtained from the Fischer-Tropsch synthesis on Fe-Si-K and Co/SiO2 based catalysts through the alkylidene mechanism [39].…”

Section: Introductionmentioning

confidence: 99%

Fischer-Tropsch Synthesis on Multicomponent Catalysts: What Can We Learn from Computer Simulations?

2015

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Abstract:In this concise review paper, we will address recent studies based on the generalized-gradient approximation (GGA) of the density functional theory (DFT) and on the periodic slab approach devoted to the understanding of the Fischer-Tropsch synthesis process on transition metal catalysts. As it will be seen, this computational combination arises as a very adequate strategy for the study of the reaction mechanisms on transition metal surfaces under well-controlled conditions and allows separating the influence of different parameters, e.g., catalyst surface morphology and coverage, influence of co-adsorbates, among others, in the global catalytic processes. In fact, the computational studies can now compete with research employing modern experimental techniques since very efficient parallel computer codes and powerful computers enable the investigation of more realistic molecular systems in terms of size and composition and to explore the complexity of the potential energy surfaces connecting reactants, to intermediates, to products of reaction. In the case of the Fischer-Tropsch process, the calculations were used to complement experimental work and to clarify the reaction mechanisms on different catalyst models, as well as the influence of additional components and co-adsorbate species in catalyst activity and selectivity.

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Distribution between C2 and C3 in low temperature Fischer–Tropsch synthesis over a TiO2-supported cobalt catalyst

Hildebrandt

Glasser

2015

Applied Catalysis A: General

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Explanations of the Formation of Branched Hydrocarbons During Fischer–Tropsch Synthesis by Alkylidene Mechanism

Cited by 16 publications

References 15 publications

Formation of 2-alkenes as secondary products during Fischer–Tropsch synthesis

Formation of 2-alkenes as secondary products during Fischer–Tropsch synthesis

Fischer-Tropsch Synthesis on Multicomponent Catalysts: What Can We Learn from Computer Simulations?

Distribution between C2 and C3 in low temperature Fischer–Tropsch synthesis over a TiO2-supported cobalt catalyst

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