A Kinetic Model of Methanol Synthesis

A kinetic model of methanol synthesis is presented. All parameters in the model are estimated from gas-phase thermodynamics and surface science studies. The rate-limiting step in the kinetic model was determined from Cu(100) single-crystal experiments Ito be the hydrogenation of H2COO ☆ to methoxide...

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Bibliographic Details
Published in:Journal of catalysis 1995-10, Vol.156 (2), p.229-242
Main Authors: Askgaard, T.S., Norskov, J.K., Ovesen, C.V., Stoltze, P.
Format: Article
Language:English
Subjects:
Catalysis
Catalytic reactions
Chemistry
Exact sciences and technology
General and physical chemistry
Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry
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Summary:A kinetic model of methanol synthesis is presented. All parameters in the model are estimated from gas-phase thermodynamics and surface science studies. The rate-limiting step in the kinetic model was determined from Cu(100) single-crystal experiments Ito be the hydrogenation of H2COO ☆ to methoxide and oxide. Calculated methanol rates from the model extrapolated to industrial working conditions were in good agreement with rates measured on a real catalyst.
ISSN:0021-9517
1090-2694
DOI:10.1006/jcat.1995.1250