K. De Wispelaere
First principles molecular dynamics study of the influence of acid strength on MTO conversion in H-SAPO-5 and H-SSZ-24
Master of Science in Chemical Engineering
2015
Toward a more accurate description of adsorption in Brønsted acid zeolites by combining static and dynamic molecular simulations
CATL 322
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Talk
Conference / event / venue
250th ACS National Meeting & Exposition - Division of Catalysis Science and Technology (CATL)
Boston, MA, USA
Sunday, 16 August, 2015 to Thursday, 20 August, 2015
Static and dynamic study of alkene cracking intermediates in H-ZSM-5
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Poster
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9th International Conference on Chemical Kinetics (ICCK 2015)
Ghent, Belgium
Sunday, 28 June, 2015 to Thursday, 2 July, 2015
Advanced Molecular Simulations of Reaction Mechanisms and Complex Reaction Environments in the Methanol to Olefins Process
Fri, 29/05/2015
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
Supervisors
Prof. Dr. ir. Veronique Van SpeybroeckComplex reaction environments and competing reaction mechanisms in zeolite catalysis: insights from advanced molecular dynamics
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Talk
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IAP work meeting of WP2 “Supramolecular catalysis, photocatalysis and advanced separations"
Leuven, Belgium
Monday, 11 May, 2015
The effects of methanol or dimethyl ether as methylating agent during zeolite catalysed benzene methylation
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Talk
Conference / event / venue
12th European Congress on Catalysis (Europacat XII)
Kazan, Russia
Sunday, 30 August, 2015 to Friday, 4 September, 2015
Translation of experimental conditions into model systems for methanol to olefins conversion in zeolitic materials
Molecular Dynamics Study of Butene Cracking Intermediates in H-ZSM-5
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Talk
Conference / event / venue
XVIth Netherlands' Catalysis and Chemistry Conference (NCCC XVI)
Noordwijkerhout, The Netherlands
Monday, 2 March, 2015 to Wednesday, 4 March, 2015
Semi-analytical thermodynamic model for multicomponent adsorption in nanoporous materials
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