K. De Wispelaere
Predicting Alkene Cracking Kinetics in Zeolite Catalysts with advanced Molecular Dynamics Techniques
Correction to “Shape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous Zeolites”
Remarkable flexible behavior of UiO-66 linkers during the dehydration process and the influence of the created active sites on the reaction mechanisms
ISBN/ISSN:
Poster
Conference / event / venue
Euromof 2017
Delft, The Netherlands
Sunday, 29 October, 2017 to Wednesday, 1 November, 2017
Modelling and Simulation in the Science of Micro- and Meso-Porous Materials
Chapter: Entropy Contributions to Transition State Modeling
Mechanistic study on the zeolite-catalyzed formation of aromatics with advanced molecular simulations
Mechanistic study on the early stages of the MTO process using advanced molecular simulations
Adsorption energies of isobutene cracking intermediates in zeolites: how accurately can they be determined by first-principle methods
Master of Science in Chemical Engineering
2018
Ab initio study on the mechanism and kinetics of alkene cracking in zeolite catalysts
Modeling zeolite catalysis at operating conditions: an advanced molecular dynamics benchmark study
ISBN/ISSN:
Talk
Conference / event / venue
Europacat 2017
Florence, Italy
Sunday, 27 August, 2017 to Thursday, 31 August, 2017
Pages
