Mechanisms for chain growth in Fischer-Tropsch synthesis over Ru(0001)

I.M. Ciobica, G.J. Kramer, Q. Ge, M. Neurock, R.A. Santen, van

Research output: Contribution to journalArticleAcademicpeer-review

102 Citations (Scopus)

Abstract

Two reaction pathways for hydrocarbon chain-growth mechanisms over Ru(0001) in Fischer–Tropsch synthesis have been analyzed using periodic ab initio calculations for 25% coverage. Adsorption energies for the intermediates for the first two catalytic cycles for each mechanism as well as the transition states are reported. Both mechanisms are carbene-type mechanisms. Adsorbed CH species are used as the building unit, rather than adsorbed CH2 intermediates. The resulting intermediate hydrocarbon chains at the surface are alkyl- and alkylidenelike, respectively.
Original languageEnglish
Pages (from-to)136-144
Number of pages9
JournalJournal of Catalysis
Volume212
Issue number2
DOIs
Publication statusPublished - 2002

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