Kinetic modelling of Fischer–Tropsch product distributions

Schulz, Hans; Claeys, Michael

doi:10.1016/s0926-860x(99)00166-0

Cited by 219 publications

(197 citation statements)

References 39 publications

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“…4). Thus, it may be quite clear that the deviation observed in Figure 8 can be linked with olefin products as reported by many authors [2][3][4]. This observation leads us to distinguish paraffin and olefin and, in fine, each family products.…”

Section: From Our Distribution Datasupporting

confidence: 77%

“…However Fischer-Tropsch reaction mechanism is still under discussion: the mathematical polymerization law reported in the past by Schulz and Flory, also called Anderson Schulz Flory (ASF) distribution is reported to present some deviation(s) in case of Fischer-Tropsch synthesis [1][2][3][4]. It is common to represent the chain length distribution of FT-products, on both Co and Fe based catalyst, by superposition of two ASF distributions, namely α 1 and α 2 [1] distributions.…”

Section: Introductionmentioning

confidence: 99%

“…It is common to represent the chain length distribution of FT-products, on both Co and Fe based catalyst, by superposition of two ASF distributions, namely α 1 and α 2 [1] distributions. This superposition of two ASF distributions has been interpreted by two different mechanisms of chain growth whereas other authors consider that olefin-1 readsorption can be responsible for the product distribution deviation [1][2][3][4]. The ASF deviation has also been attributed to two growth factors at two different catalytic sites (dual sites) [5].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Unravelling Molecular Composition of Products from Cobalt Catalysed Fischer-Tropsch Reaction by Comprehensive Gas Chromatography: Methodology and Application

Bertoncini

Marion

Brodusch

et al. 2009

Oil & Gas Science and Technology - Rev. IFP

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Résumé -Élucider la composition moléculaire des produits obtenus par la réaction de FischerTropsch catalysée par le cobalt par chromatographie gazeuse bidimensionnelle : méthodologie et application -De nouvelles approches analytiques combinant différents types de méthodes chromatographiques telles que les chromatographies en phase gazeuse de basse résolution, de haute résolution et bi-dimensionnelle ont été mises en oeuvre pour améliorer la caractérisation moléculaire des produits de synthèse Fischer-Tropsch (FT). Particulièrement, la composition détaillée des oléfines et des oxygénés a été obtenue grâce à la résolution améliorée et la grande capacité de séparation fournies par la GC-2D. Une telle description de la totalité des effluents de la réaction de Fischer-Tropsch apporte des informations additionnelles qui peuvent être mises à profit pour améliorer la connaissance de la réaction. Ainsi, nous avons montré que les trois familles de produits (paraffines, oléfines et oxygénés) présentent leur propre distribution Anderson Schulz Flory (ASF). En dehors du méthane et de l'éthylène, la sélectivité de la réaction de Fischer-Tropsch a pu être décrite par des coefficients de croissance de chaîne spécifiques à chaque famille. Ces résultats peuvent permettent une meilleure compréhension du mécanisme réactionnel. Une hypothèse est proposée. Abstract -Unravelling Molecular Composition of Products from Cobalt Catalysed Fischer-Tropsch

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Section: From Our Distribution Datasupporting

confidence: 77%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Unravelling Molecular Composition of Products from Cobalt Catalysed Fischer-Tropsch Reaction by Comprehensive Gas Chromatography: Methodology and Application

Bertoncini

Marion

Brodusch

et al. 2009

Oil & Gas Science and Technology - Rev. IFP

View full text Add to dashboard Cite

show abstract

“…This is in line with experimental results. 1,[20][21][22] Figure 1b further underpins this interpretation by showing the optimum temperature for chain-growth probability to be around 500 K. This optimum also finds its origin in Sabatier's principle. As we will demonstrate below, the chain growth is limited by hydrogenation, one of the essential steps in the growth mechanism, at low temperature.…”

Section: Resultsmentioning

confidence: 68%

Kinetic aspects of chain growth in Fischer–Tropsch synthesis

et al. 2017

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Microkinetics simulations are used to investigate the elementary reaction steps that control chain growth in the Fischer-Tropsch reaction. Chain growth in the FT reaction on stepped Ru surfaces proceeds via coupling of CH and CR surface intermediates. Essential to the growth mechanism are C-H dehydrogenation and C hydrogenation steps, whose kinetic consequences have been examined by formulating two novel kinetic concepts, the degree of chain-growth probability control and the thermodynamic degree of chain-growth probability control. For Ru the CO conversion rate is controlled by the removal of O atoms from the catalytic surface. The temperature of maximum CO conversion rate is higher than the temperature to obtain maximum chain-growth probability. Both maxima are determined by Sabatier behavior, but the steps that control chain-growth probability are different from those that control the overall rate. Below the optimum for obtaining long hydrocarbon chains, the reaction is limited by the high total surface coverage: in the absence of sufficient vacancies the CHCHR → CCHR + H reaction is slowed down. Beyond the optimum in chain-growth probability, CHCR + H → CHCHR and OH + H → H 2 O limit the chain-growth process. The thermodynamic degree of chain-growth probability control emphasizes the critical role of the H and free-site coverage and shows that at high temperature chain depolymerization contributes to the decreased chain-growth probability. That is to say, during the FT reaction chain growth is much faster than chain depolymerization, which ensures high chain-growth probability. The chain-growth rate is also fast compared to chain-growth termination and compared to the steps that control the overall CO conversion rate, which are O removal steps for Ru.

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“…The characterization of these phases is very important for the study of FT selectivity models and their deviations [2]. Previously one dimensional separation techniques were used for the study of the selectivity models [2][3][4][5][6][7][8][9], however these techniques cannot separate all compounds, even when using high efficiency capillary columns providing peak capacities in the order of ~ 500-600 [10]. The introduction of comprehensive two-dimensional gas chromatography (GC×GC) provides several advantages for the analysis of these complex oil phase samples.…”

Section: Introductionmentioning

confidence: 99%