Neuere Erkenntnisse auf dem Gebiet der Synthese von Kohlenwasserstoffen aus CO und H<sub>2</sub>

Pichler, H.; Schulz, H.

doi:10.1002/cite.330421808

Cited by 341 publications

(142 citation statements)

References 27 publications

(5 reference statements)

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“…The synthesis proceeds through a CO insertion mechanism introduced by Schulz and Pichler 10 and more recently also confirmed by DFT calculations of the required energy levels. 11 The chain growth intermediate is the alkyl radical.…”

Section: Iron Catalyzed Ft Synthesis In Terms Of Elementary Stepsmentioning

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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Section: Iron Catalyzed Ft Synthesis In Terms Of Elementary Stepsmentioning

confidence: 99%

Advanced fundamental modeling of the kinetics of Fischer–Tropsch synthesis

Zhou

Froment²,

Yang

et al. 2016

AIChE Journal

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“…As depicted in Scheme 4, three different chain growth mechanisms have been widely reported in the literature, namely the (a) alkyl mechanism [35,36], (b) the enol mechanism [37], and the (c) CO insertion mechanism [38][39][40]. First, considering the alkyl mechanism, the KIE could originate from the addition of hydrogen to C at some stage of hydrogenation to form (CH x ) ads.…”

Section: Iron Catalystmentioning

confidence: 99%

Fischer–Tropsch Synthesis: Deuterium Kinetic Isotope Study for Hydrogenation of Carbon Oxides Over Cobalt and Iron Catalysts

et al. 2011

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The hydrogenation of CO 2 using Pt promoted Co/c-Al 2 O 3 and doubly (Cu, K) promoted iron catalysts exhibits an inverse isotope effect (r H /r D \ 1). The observed inverse isotope effect for hydrogenation of CO 2 shows that hydrogen addition to CO 2 should be involved in the kinetically relevant step. The systematic increase of inverse isotope effect with carbon number of products obtained during H 2 -D 2 -H 2 switching experiments suggests the possible existence of a common intermediate (CH x O) for hydrogenation of CO 2 over both cobalt and iron FT catalysts. The magnitude of the inverse isotope effect is lower for CO 2 compared to CO hydrogenation under similar reaction conditions. The deuterium isotope effect does not provide a definite conclusion regarding the mechanism which CO 2 hydrogenation follows (alkyl, enol, or alkylidine mechanisms).

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“…From this view, a common intermediate to the formation of hydrocarbons and oxygenates is unlikely. Another view is that oxygen containing surface species (i.e., intermediates for oxygenates) can be formed via CO insertion into an alkyl-metal bond [16]. Johnston and Joyner [17] postulated that the same surface species might be formed via addition of a hydroxyl group to an alkylidene species.…”

Section: Resultsmentioning

confidence: 99%

Fischer-Tropsch Synthesis: Reaction Pathways for 14C-Labeled Acetic Acid

et al. 2007

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Reaction pathways for 14 C labeled acetic acid (at both carboxylic and methyl positions) added during Fischer-Tropsch synthesis over a doubly promoted fused iron catalysts were studied in a CSTR at 100 psig, 270°C and ca. 90% CO conversion. The addition of acetic acid slightly affected the CO conversion but results in a significant reduction in H 2 conversion. Both the unlabeled and labeled acetic acid addition caused a large decrease in the alkene ratio for C 2 hydrocarbons as compared to an increase for the C 3 and C 4 hydrocarbons suggesting a direct formation pathway of ethane from added acetic acid. The 1-alkene/2-alkene fraction was found to increase significantly when acetic acid was added and returned to the original value once the addition is terminated, indicating inhibition of hydrogenation activity of the catalyst by acetic acid. Distribution of 14 C suggests some C-C bond rupture and direct formation of ethane from labeled acetic acid. In the case of 1-14 C labeled acetic acid addition, the gradual increase of the relative molar activity ( 14 C content per mole) with carbon number reveals that 14 C containing part of acetic acid initiate chain growth and also participates in the chain propagation for hydrocarbon formation in FTS. When acetic acid labeled at methyl position was added, the results indicated that 14 C containing part of acetic acid participates in chain initiation only. The addition of acetic acid decreases methane and methanol selectivity while it increases ethanol, acetaldehyde and acetone selectivity in FTS. Reaction of acetic acid during FTS was found to produce products like ethyl butanoate, ethylene glycol, and its ether, 1,2-diethoxyethane which are not generally observed in the normal FTS product spectrum. The results indicate that acetic acid is not a significant intermediate in FTS with an iron catalyst. 14 C-distribution in most of the labeled oxygenate compounds are consistent with the hydrogenation of the acetic acid to acetaldehyde and/or ethanol as primary products followed by secondary reaction of these two primary oxygenate products.

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Neuere Erkenntnisse auf dem Gebiet der Synthese von Kohlenwasserstoffen aus CO und H₂

Abstract: Die Moglichkeit einer wirtschaftlichen Erzeugung von Motorkraftstoffen aus Kohle iiber die Synthese aus CO und H, hangt von dem Preisverhaltnis Erdol zu Kohle ab, das heute in der BRD je Tonne rd.

Cited by 341 publications

References 27 publications

Advanced fundamental modeling of the kinetics of Fischer–Tropsch synthesis

Advanced fundamental modeling of the kinetics of Fischer–Tropsch synthesis

Fischer–Tropsch Synthesis: Deuterium Kinetic Isotope Study for Hydrogenation of Carbon Oxides Over Cobalt and Iron Catalysts

Fischer-Tropsch Synthesis: Reaction Pathways for 14C-Labeled Acetic Acid

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Neuere Erkenntnisse auf dem Gebiet der Synthese von Kohlenwasserstoffen aus CO und H2

Abstract: Die Moglichkeit einer wirtschaftlichen Erzeugung von Motorkraftstoffen aus Kohle iiber die Synthese aus CO und H, hangt von dem Preisverhaltnis Erdol zu Kohle ab, das heute in der BRD je Tonne rd.

Cited by 341 publications

References 27 publications

Advanced fundamental modeling of the kinetics of Fischer–Tropsch synthesis

Advanced fundamental modeling of the kinetics of Fischer–Tropsch synthesis

Fischer–Tropsch Synthesis: Deuterium Kinetic Isotope Study for Hydrogenation of Carbon Oxides Over Cobalt and Iron Catalysts

Fischer-Tropsch Synthesis: Reaction Pathways for 14C-Labeled Acetic Acid

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Neuere Erkenntnisse auf dem Gebiet der Synthese von Kohlenwasserstoffen aus CO und H₂