Molecular-Level Understanding of Adsorption and Zeolite-Catalyzed Reactions in the Methanol-to-Olefins Process J. Van der Mynsbrugge Mon, 23/06/2014Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Molecular-Level Understanding of Adsorption and Zeolite-Catalyzed Reactions in the Methanol-to-Olefins Process
Molecular dynamics simulations as a tool for understanding zeolite nanogrowth and liquid structure M. Van Houteghem Mon, 16/12/2013Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://hdl.handle.net/1854/LU-4228273Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Michel Waroquier Read more about Molecular dynamics simulations as a tool for understanding zeolite nanogrowth and liquid structure
Thermodynamics of adsorption in flexible frameworks with the aid of Monte Carlo simulations R. Demuynck Master of Science in Engineering Physics2014Supervisors Dr. ir. An Ghysels, Prof. Dr. ir. Veronique Van Speybroeck Read more about Thermodynamics of adsorption in flexible frameworks with the aid of Monte Carlo simulations
Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5 T. Deconinck Master of Science in Chemical Engineering2014Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Dr. ir. Karen Hemelsoet Read more about Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5
Derivation and implementation of equations of motion for isothermal and isobaric Molecular Dynamics simulations S.M.J. Rogge Master of Science in Engineering Physics2014Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Toon Verstraelen Read more about Derivation and implementation of equations of motion for isothermal and isobaric Molecular Dynamics simulations
Simulation of vibronic UV-Vis and fluorescence spectra of organic molecules S. Troch Master of Science in Engineering Physics2014Supervisors Dr. ir. Karen Hemelsoet, Prof. Dr. ir. Veronique Van Speybroeck Read more about Simulation of vibronic UV-Vis and fluorescence spectra of organic molecules
First principle kinetic study of butene cracking on H-ZSM-5 P. Cnudde Master of Science in Chemical Engineering2014Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about First principle kinetic study of butene cracking on H-ZSM-5
Covalent immobilization of an nantioselective catalyst on MIL-101(Cr): a combined theoretical and experimental approach Y. Aelbrecht Master of Science in Chemical Engineering2013Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Pascal Van Der Voort Read more about Covalent immobilization of an nantioselective catalyst on MIL-101(Cr): a combined theoretical and experimental approach
Bridging the Gap between Experiment and Theory with First-Principles Chemical Kinetics: Unraveling Reaction Pathways within Metal-Organic Frameworks and Zeolites M. Vandichel Wed, 07/11/2012Ghent University AULA, Voldersstraat, Ghenthttp://hdl.handle.net/1854/LU-3049777Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Michel Waroquier Read more about Bridging the Gap between Experiment and Theory with First-Principles Chemical Kinetics: Unraveling Reaction Pathways within Metal-Organic Frameworks and Zeolites
Nauwkeurigheidsstudie voor het ab initio berekenen van de mengingsenthalpie bij bulk metallic glasses F. Caestecker Master of Science in Physics and Astronomy2012Supervisors Prof. Dr. Stefaan Cottenier, Prof. Dr. ir. Veronique Van Speybroeck Read more about Nauwkeurigheidsstudie voor het ab initio berekenen van de mengingsenthalpie bij bulk metallic glasses