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.

Additional Metadata
Persistent URL dx.doi.org/10.1006/jcat.2002.3742
Journal J. Catal.
Citation
Ciobica, I. M, Kramer, G. J, Neurock, M, & van Santen, R. A. (2002). Mechanisms for Chain Growth in Fischer–Tropsch Synthesis over Ru(0001). J. Catal., 212, 136–144. doi:10.1006/jcat.2002.3742