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

Research output: Contribution to journalArticle

82 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 languageEnglish (US)
Pages (from-to)12273-12278
Number of pages6
JournalAngewandte Chemie - International Edition
Volume52
Issue number47
DOIs
StatePublished - Nov 18 2013

Keywords

  • FischerTropsch synthesis
  • density functional calculations
  • heterogeneous catalysis
  • hydrogenation
  • kinetics

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