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- Chen, De, et al. Show all 7 Authors
- Journal of catalysis 2017 v.349 pp. 110-117
- Fischer-Tropsch reaction; activation energy; adsorption; carbon; catalysts; cobalt; density functional theory; ethylene; hydrogenation; olefin; van der Waals forces
- ... The factor dominating olefin to paraffin ratio in cobalt-catalyzed Fischer-Tropsch synthesis has been identified via experimental kinetic studies and theoretical calculations including the van der Waals interaction between the adsorbates and Co surfaces. The olefin to paraffin ratio for each carbon number is expressed as a function of adsorption energies of olefin and activation energies of hydrog ...
- Chen, De, et al. Show all 6 Authors
- Journal of catalysis 2013 v.308 pp. 37-49
- adsorption; carbon sinks; catalysts; cobalt; dissociation; hydrogen; methane production; models
- ... A new approach for elucidating reaction mechanism of complex reactions, such as Fischer–Tropsch (F–T) synthesis, is presented. It includes a combination of integrated transient and steady-state kinetic modeling, experimental and DFT investigations of kinetic isotopic effects. The integrated transient and steady-state modeling enable the determination of H₂ and CO equilibrium constants and detailed ...