Simon Bailleul

PhD Fellow (EA17)
+32 (0)9 264 65 65
​​​​​Tech Lane Ghent Science Park, Campus A
Technologiepark 903 (from January 1, 2019: Technologiepark 46)​, 9052 Zwijnaarde
Office n°021

A1 publications

2018

Structure–performance descriptors and the role of Lewis acidity in the methanol-to-propylene process, I. Yarulina, K. De Wispelaere, S. Bailleul, J. Goetze, M. Radersma, E. Abou-Hamad, I. Vollmer, M. Goesten, B. Mezari, E.J.M. Hensen, J. S. Martínez-Espín, M. Morten, S. Mitchell, J. Perez-Ramirez, U. Olsbye, B.M. Weckhuysen, V. Van Speybroeck, F. Kapteijn, J. Gascon, Nature Chemistry, 10 (8), 804-812, 2018, IF: 25.870, 4/166

2016

Suppression of the Aromatic Cycle in Methanol-to-Olefins Reaction over ZSM-5 by Post-Synthetic Modification Using Calcium, I. Yarulina, S. Bailleul, A. Pustovarenko, J. Ruiz-Martinez, K. De Wispelaere, J. Hajek, B.M. Weckhuysen, K. Houben, M. Baldus, V. Van Speybroeck, F. Kapteijn, J. Gascon, ChemCatChem, 8 (19) 3057–3063, 2016, IF: 4.724, 29/144 [Q1]
Towards molecular control of elementary reactions in zeolite catalysis by advanced molecular simulations mimicking operating conditions, K. De Wispelaere, S. Bailleul, V. Van Speybroeck, Catalysis Science & Technology, 6, 2686 – 2705, 2016, IF: 5.287, 28/144 [Q1]

A2 publications

B publications

P1 publications

Keynote / Plenary / Invited talks

Talks

2017

Modeling zeolite catalysis at operating conditions: an advanced molecular dynamics benchmark study, S. Bailleul, K. De Wispelaere, R. Demuynck, V. Van Speybroeck, Europacat 2017, Florence, Italy, Sun, 27/08/2017 to Thu, 31/08/2017

2016

Advanced molecular simulations of elementary steps in zeolite catalysis under reaction conditions , K. De Wispelaere, S. Bailleul, V. Van Speybroeck, 251st American Chemical Society (ACS) National Meeting, San Diego, CA, USA, Sun, 13/03/2016 to Thu, 17/03/2016
Ab initio molecular dynamics study on the role of water in the side-chain mechanism during methanol conversion in H-SAPO-34, S. Bailleul, K. De Wispelaere, V. Van Speybroeck, XVIIth Netherlands' Catalysis and Chemistry Conference (NCCC XVII), Noordwijkerhout, The Netherlands, Mon, 07/03/2016 to Wed, 09/03/2016
Advanced molecular simulations of elementary steps in zeolite catalysis, K. De Wispelaere, S. Bailleul, V. Van Speybroeck, XVIIth Netherlands' Catalysis and Chemistry Conference (NCCC XVII), Noordwijkerhout, The Netherlands, Mon, 07/03/2016 to Wed, 09/03/2016
Towards molecular control of zeolite-catalyzed reactions by advanced molecular simulations mimicking operating conditions, K. De Wispelaere, S. Bailleul, V. Van Speybroeck, IAP 7 - PL3 meeting, Ghent, Belgium, Tue, 01/03/2016

Posters

2017

Modeling zeolite catalysis at operating conditions: an advanced molecular dynamics benchmark study, S. Bailleul, K. De Wispelaere, J. Hajek, R. Demuynck, V. Van Speybroeck, XVIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XVIII), Noordwijkerhout, The Netherlands, Mon, 06/03/2017 to Wed, 08/03/2017
Ab initio study on the impact of a mixed water-methanol feed on olefin formation during the MTO process, S. Bailleul, K. De Wispelaere, V. Van Speybroeck, MARVEL School on Variationally Enhanced Sampling 2017., Lugano, Switzerland, Tue, 14/02/2017 to Fri, 17/02/2017

2016

Ab initio study on the impact of a mixed water methanol feed on olefin formation during the MTO process, S. Bailleul, Y. Pauwels, K. De Wispelaere, V. Van Speybroeck, Chemical Research in Flanders Symposium (CRF-1), Blankenberge, Belgium, Mon, 24/10/2016 to Wed, 26/10/2016
Ab initio study on the impact of a mixed water-methanol feed on olefin formation during the MTO process, S. Bailleul, K. De Wispelaere, V. Van Speybroeck, IAP Day 2016 - final meeting, Liège, Belgium, Mon, 12/09/2016
Impact of a mixed water methanol feed on olefin formation during the MTO process, Y. Pauwels, K. De Wispelaere, S. Bailleul, V. Van Speybroeck, XVIIth Netherlands' Catalysis and Chemistry Conference (NCCC XVII), Noordwijkerhout, The Netherland, Mon, 07/03/2016 to Wed, 09/03/2016
Ab initio molecular dynamics study on the influence of water on methanol conversion in H-SAPO-34, S. Bailleul, K. De Wispelaere, J. Van der Mynsbrugge, K. Hemelsoet, V. Van Speybroeck, MolSim 2016: Understanding Molecular Simulation, Amsterdam, The Netherlands, Mon, 04/01/2016 to Fri, 15/01/2016

2015

Ab initio molecular dynamics study on the influence of water on methanol conversion in H-SAPO-34, S. Bailleul, K. De Wispelaere, J. Van der Mynsbrugge, K. Hemelsoet, V. Van Speybroeck, IAP Annual Meeting, Hasselt, Belgium, Fri, 11/09/2015
Ab initio study on the influence of water on methanol conversion in H-SAPO-34, S. Bailleul, K. De Wispelaere, J. Van der Mynsbrugge, K. Hemelsoet, V. Van Speybroeck, XVIth Netherlands' Catalysis and Chemistry Conference (NCCC XVI), Noordwijkerhout, The Netherlands, Mon, 02/03/2015 to Wed, 04/03/2015

Dissertations

(D2), Ab initio Studie naar de invloed van water op de methanol conversie in H-SAPO-34, S. Bailleul, Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Dr. ir. Karen Hemelsoet, 2015