Ab initio molecular dynamics study on the influence of water on methanol conversion in H-SAPO-34
ISBN/ISSN:
Poster
Conference / event / venue
IAP Annual Meeting
Hasselt, Belgium
Friday, 11 September, 2015
K. De Wispelaere
Ab initio study on the impact of a mixed water-methanol feed on olefin formation during the MTO process
ISBN/ISSN:
Poster
Conference / event / venue
MARVEL School on Variationally Enhanced Sampling 2017.
Lugano, Switzerland
Tuesday, 14 February, 2017 to Friday, 17 February, 2017
Modeling zeolite catalysis at operating conditions: an advanced molecular dynamics benchmark study
ISBN/ISSN:
Poster
Conference / event / venue
XVIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XVIII)
Noordwijkerhout, The Netherlands
Monday, 6 March, 2017 to Wednesday, 8 March, 2017
Ab initio study on the impact of a mixed water methanol feed on olefin formation during the MTO process
ISBN/ISSN:
Poster
Conference / event / venue
Chemical Research in Flanders Symposium (CRF-1)
Blankenberge, Belgium
Monday, 24 October, 2016 to Wednesday, 26 October, 2016
Exploring the nature and reactivity of alkene cracking intermediates in H-ZSM-5 with molecular simulations
ISBN/ISSN:
Talk
Conference / event / venue
XVIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XVIII)
Noordwijkerhout, The Netherlands
Monday, 6 March, 2017 to Wednesday, 8 March, 2017
Unraveling methanol conversion in chabazite by computational spectroscopy and first principle chemical kinetics
Mechanistic study on the early stages of the MTO process using advanced molecular simulations
Mechanistic study on the zeolite-catalyzed formation of aromatics with advanced molecular simulations
Adsorption energies of isobutene cracking intermediates in zeolites: how accurately can they be determined by first-principle methods
Ab initio study on the mechanism and kinetics of alkene cracking in zeolite catalysts
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