Kinetic Monte Carlo simulations of the Fischer-Tropsch reaction

Mohammed Minhaj Ghouri, Ionel Mugurel Ciobócǎ, A. P.J. Jansen, Rutger van Santen

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/CongresprocedureConferentiebijdrageAcademicpeer review

Samenvatting

Kinetic Monte Carlo simulations were used to analyze the effect of barriers and the thermodynamics of the intermediates in the methanation reaction. Models on methanation representataive of different surfaces of transition metals as Ru or Co were presented. Trends in the methanation yield rate and the surface compositions as a function of temperatures and CO activation energies were put forward. Two different models that incorporate the C-C coupling in the formation of ethylene and ethane were also presented. The reaction rates were very sensitive to the activation energies of CO and rate of oxygen removal. This is an abstract of a paper presented at the 2011 AIChE Spring Meeting & 7th Global Congress on Process Safety (Chicago, IL 3/13-17/2011).

Originele taal-2Engels
Titel11AIChE - 2011 AIChE Spring Meeting and 7th Global Congress on Process Safety, Conference Proceedings
UitgeverijAmerican Institute of Chemical Engineers (AIChE)
ISBN van geprinte versie9780816910670
StatusGepubliceerd - 1 jan 2011
Evenement2011 AIChE Spring Meeting and 7th Global Congress on Process Safety, 11AIChE - Chicago, IL, Verenigde Staten van Amerika
Duur: 13 mrt 201117 mrt 2011

Congres

Congres2011 AIChE Spring Meeting and 7th Global Congress on Process Safety, 11AIChE
LandVerenigde Staten van Amerika
StadChicago, IL
Periode13/03/1117/03/11

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  • Citeer dit

    Ghouri, M. M., Ciobócǎ, I. M., Jansen, A. P. J., & van Santen, R. (2011). Kinetic Monte Carlo simulations of the Fischer-Tropsch reaction. In 11AIChE - 2011 AIChE Spring Meeting and 7th Global Congress on Process Safety, Conference Proceedings American Institute of Chemical Engineers (AIChE).