Mechanistic role of water on the rate and selectivity of fischer-tropsch synthesis on ruthenium catalysts

David D. Hibbitts; Brett T. Loveless; Matthew Neurock; Enrique Iglesia

doi:10.1002/anie.201304610

Mechanistic role of water on the rate and selectivity of fischer-tropsch synthesis on ruthenium catalysts

David D. Hibbitts, Brett T. Loveless, Matthew Neurock, Enrique Iglesia

Chemical Engineering and Materials Science

Research output: Contribution to journal › Article › peer-review

122 Scopus citations

Abstract

Water increases Fischer Tropsch synthesis (FTS) rates on Ru through H-shuttling processes. Chemisorbed hydrogen (H) transfers its electron to the metal and protonates the O-atom of CO to form COH, which subsequently hydrogenates to *HCOH* in the kinetically relevant step. H ₂O also increases the chain length of FTS products by mediating the H-transfer steps during reactions of alkyl groups with CO* to form longer-chain alkylidynes and OH*.

Original language	English (US)
Pages (from-to)	12273-12278
Number of pages	6
Journal	Angewandte Chemie - International Edition
Volume	52
Issue number	47
DOIs	https://doi.org/10.1002/anie.201304610
State	Published - Nov 18 2013

Keywords

FischerTropsch synthesis
density functional calculations
heterogeneous catalysis
hydrogenation
kinetics

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10.1002/anie.201304610

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abstract = "Water increases Fischer Tropsch synthesis (FTS) rates on Ru through H-shuttling processes. Chemisorbed hydrogen (H) transfers its electron to the metal and protonates the O-atom of CO to form COH, which subsequently hydrogenates to *HCOH* in the kinetically relevant step. H 2O also increases the chain length of FTS products by mediating the H-transfer steps during reactions of alkyl groups with CO* to form longer-chain alkylidynes and OH*.",

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AU - Neurock, Matthew

AU - Iglesia, Enrique

PY - 2013/11/18

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AB - Water increases Fischer Tropsch synthesis (FTS) rates on Ru through H-shuttling processes. Chemisorbed hydrogen (H) transfers its electron to the metal and protonates the O-atom of CO to form COH, which subsequently hydrogenates to *HCOH* in the kinetically relevant step. H 2O also increases the chain length of FTS products by mediating the H-transfer steps during reactions of alkyl groups with CO* to form longer-chain alkylidynes and OH*.

KW - FischerTropsch synthesis

KW - density functional calculations

KW - heterogeneous catalysis

KW - hydrogenation

KW - kinetics

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Mechanistic role of water on the rate and selectivity of fischer-tropsch synthesis on ruthenium catalysts

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