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Mechanisms for Chain Growth in Fischer Tropsch Synthesis over Ru(0001)

Domenii publicaţii > Chimie + Tipuri publicaţii > Articol în revistã ştiinţificã

Autori: I.M. Ciobîcã, G. J. Kramer, Q. Ge, M. Neurock, R. A. van Santen

Editorial: Journal of. Catalysis, 212, p.136-144, 2002.


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
alkylidene-like respectively.

Cuvinte cheie: mecanismul Fischer Tropsch // Fischer Tropsch mechanism