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Unravelling the influence of catalyst properties on light olefin production via Fischer–Tropsch synthesis: A descriptor space investigation using Single-Event MicroKinetics
Anoop Chakkingal, Laura Pirro, A.R. Costa da Cruz, Alan J. Barrios, Mirella Virginie, Andrei Y. Khodakov and Joris W. Thybaut Chemical Engineering Journal 419 129633 (2021) https://doi.org/10.1016/j.cej.2021.129633
Cobalt-catalyzed nitrile hydrogenation: Insights into the reaction mechanism and product selectivity from DFT analysis
Building a Microkinetic Model from First Principles for Higher Amine Synthesis on Pd Catalyst
Gisela Lozano-Blanco, Bruce J. Tatarchuk and Andrew J. Adamczyk Industrial & Engineering Chemistry Research 58(41) 19022 (2019) https://doi.org/10.1021/acs.iecr.9b03577
Discerning complex reaction networks using automated generators
A Review of Kinetic Modeling Methodologies for Complex Processes
Luís P. de Oliveira, Damien Hudebine, Denis Guillaume, Jan J. Verstraete and J.F. Joly Oil & Gas Science and Technology – Revue d’IFP Energies nouvelles 71(3) 45 (2016) https://doi.org/10.2516/ogst/2016011
Hydrocarbon selectivity models for iron-based Fischer–Tropsch catalyst
Tomasz Olewski, Branislav Todic, Lech Nowicki, Nikola Nikacevic and Dragomir B. Bukur Chemical Engineering Research and Design 95 1 (2015) https://doi.org/10.1016/j.cherd.2014.12.015
Selectivity of the Fischer–Tropsch process: deviations from single alpha product distribution explained by gradients in process conditions
Katrina D. Kruit, David Vervloet, Freek Kapteijn and J. Ruud van Ommen Catalysis Science & Technology 3(9) 2210 (2013) https://doi.org/10.1039/c3cy00080j
Single-Event MicroKinetics: Catalyst design for complex reaction networks
Development of a General Modelling Methodology for Vacuum Residue Hydroconversion
L. Pereira de Oliveira, J. J. Verstraete and M. KoIb Oil & Gas Science and Technology – Revue d’IFP Energies nouvelles 68(6) 1027 (2013) https://doi.org/10.2516/ogst/2013135