Pieter Cnudde

PhD Fellow (EA17)
+32 (0)9 264 65 62
​​​​​Tech Lane Ghent Science Park, Campus Ardoyen
Technologiepark 46, 9052 Zwijnaarde, Belgium
Office n°027

* Ab initio modeling of heterogeneous catalysis
* Zeolites and nanoporous materials
* Olefin cracking and methanol-to-olefins process
* Molecular dynamics simulations and free energy methods

A1 publications

2019

On the role of zeolite topology and reactor configuration on the direct conversion of CO2 to light olefins and aromatics , A. Ramirez Galilea, A. Dutta Chowdhury, A. Dokania, P. Cnudde, M. Caglayan, I. Yarulina, E. Abou-Hamad, L. Gevers, S. Ould-Chikh, K. De Wispelaere, V. Van Speybroeck, J. Gascon , ACS Catalysis , 9, 6320-6334 , 2019 , IF: 11.384 , 11/145 [Q1]

2018

How chain length and branching influence the alkene cracking reactivity on H-ZSM-5 , P. Cnudde, K. De Wispelaere, L. Vanduyfhuys, R. Demuynck, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck , ACS Catalysis , 8, 9579 − 9595 , 2018 , IF: 11.384 , 11/145 [Q1]

2017

Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5 , P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck , Journal of Catalysis , 345, 53-69 , 2017 , IF: 6.844 , 5/135 [Q1]

2016

On the stability and nature of adsorbed pentene in Brønsted acid zeolite H-ZSM-5 at 323 K , J. Hajek, J. Van der Mynsbrugge, K. De Wispelaere, P. Cnudde, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck , Journal of Catalysis , 340, 227 - 235 , 2016 , IF: 7.354 , 4/135 [Q1]

A2 publications

B publications

P1 publications

Keynote / Plenary / Invited talks

Talks

2019

The crucial role of carbocations in zeolite catalyzed alkene cracking , P. Cnudde, M. Waroquier, V. Van Speybroeck , 14th European Congress on Catalysis (EuropaCat 2019) , Aachen, Germany , Sun, 18/08/2019 to Fri, 23/08/2019
Octene cracking in acid zeolite catalysts: Insights from molecular simulations , P. Cnudde, V. Van Speybroeck , XXth Netherlands' Catalysis and Chemistry Conference (NCCC XX) , Noordwijkerhout, the Netherlands , Mon, 04/03/2019 to Wed, 06/03/2019

2017

Analyzing the stability and reactivity of carbenium ion intermediates in H-ZSM-5 catalyzed octene cracking , P. Cnudde, K. De Wispelaere, M. Waroquier, J. Van der Mynsbrugge, V. Van Speybroeck , Europacat 2017 , Florence, Italy , Sun, 27/08/2017 to Thu, 31/08/2017
Exploring the nature and reactivity of alkene cracking intermediates in H-ZSM-5 with molecular simulations , P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck , XVIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XVIII) , Noordwijkerhout, The Netherlands , Mon, 06/03/2017 to Wed, 08/03/2017

2016

A theoretical study of reactive intermediates in H-ZSM-5 catalyzed alkene cracking , P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, J. Hajek, M. Waroquier, V. Van Speybroeck , Chemical Research in Flanders (CRF-1) , Blankenberge, Belgium , Mon, 24/10/2016 to Wed, 26/10/2016
On the stability and nature of adsorbed pentene in Brønsted acid zeolite H-ZSM-5 , J. Hajek, J. Van der Mynsbrugge, K. De Wispelaere, P. Cnudde, M. Waroquier, V. Van Speybroeck , 252nd American Chemical Society (ACS) National Meeting , Philadelphia, PA, USA , Sun, 21/08/2016 to Thu, 25/08/2016
Unraveling the nature of reactive intermediates in H-MFI catalyzed pentene cracking using molecular dynamics simulations , P. Cnudde, K. De Wispelaere, J. Hajek, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck , 18th International Zeolite Conference (IZC18) , Rio de Janeiro, Brazil , Sun, 19/06/2016 to Fri, 24/06/2016

2015

Toward a more accurate description of adsorption in Brønsted acid zeolites by combining static and dynamic molecular simulations , J. Van der Mynsbrugge, K. De Wispelaere, P. Cnudde, V. Van Speybroeck , 250th ACS National Meeting & Exposition - Division of Catalysis Science and Technology (CATL) , Boston, MA, USA , CATL 322 , Sun, 16/08/2015 to Thu, 20/08/2015
Molecular Dynamics Study of Butene Cracking Intermediates in H-ZSM-5 , P. Cnudde, J. Van der Mynsbrugge, K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck , XVIth Netherlands' Catalysis and Chemistry Conference (NCCC XVI) , Noordwijkerhout, The Netherlands , Mon, 02/03/2015 to Wed, 04/03/2015

Posters

2018

Towards an understanding of the role of π-cation interactions in accelerating living cationic ring-opening polymerization of unsaturated alkyl-2-oxazolines , E. Van den Broeck, B. Verbraeken, P. Cnudde, K. Dedecker, R. Demuynck, T. Verstraelen, L. Vanduyfhuys, S. Catak, R. Hoogenboom, V. Van Speybroeck , Cecam Workshop - Frontiers and challenges of computing metals for biochemical, medical and technological applications , Paris, France , Wed, 11/07/2018 to Fri, 13/07/2018
Unraveling the preferred reaction pathways in H-ZSM-5 catalyzed alkene cracking , P. Cnudde, K. De Wispelaere, M. Waroquier, V. Van Speybroeck , XIXth Netherlands' Catalysis and Chemistry Conference (NCCC XIX) , Noordwijkerhout, The Netherlands , Mon, 05/03/2018 to Wed, 07/03/2018

2017

On the nature and stability of butene cracking intermediates in H-ZSM-5 , P. Cnudde, K. De Wispelaere, M. Waroquier, J. Van der Mynsbrugge, V. Van Speybroeck , FEARS2017 , Ghent, Belgium , Wed, 15/02/2017

2016

Molecular simulations elucidate the nature and stability of alkene cracking intermediates on H-ZSM-5 , P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck , IAP Annual Meeting , Luik, Belgium , Mon, 12/09/2016

2015

Ab initio study on the nature of intermediates in zeolite catalyzed butene cracking , P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, V. Van Speybroeck , IAP Annual Meeting , Hasselt, Belgium , Fri, 11/09/2015
Toward a more accurate computational description of adsorption in Brønsted acid zeolites , J. Van der Mynsbrugge, K. De Wispelaere, P. Cnudde, V. Van Speybroeck , Gordon Research Conference Nanoporous Materials & Their Applications , Holderness, NH, USA , Sun, 09/08/2015 to Fri, 14/08/2015
Static and dynamic study of alkene cracking intermediates in H-ZSM-5 , P. Cnudde, J. Van der Mynsbrugge, K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck , 9th International Conference on Chemical Kinetics (ICCK 2015) , Ghent, Belgium , Sun, 28/06/2015 to Thu, 02/07/2015

2014

First-principle kinetic study of butene cracking on H-ZSM-5 , P. Cnudde, J. Van der Mynsbrugge, K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck , DZA14 meeting (Dutch Zeolite Association) , Ghent, Belgium , Tue, 07/10/2014
First-principle kinetic study of butene cracking on H-ZSM-5 , P. Cnudde, J. Van der Mynsbrugge, K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck , 6th FEZA Conference 2014 , Leipzig, Germany , Mon, 08/09/2014 to Thu, 11/09/2014
First-principle kinetic study of butene cracking on H-ZSM-5 , P. Cnudde, J. Van der Mynsbrugge, K. De Wispelaere, K. Hemelsoet, V. Van Speybroeck , XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV) , Noordwijkerhout, The Netherlands , Mon, 10/03/2014 to Wed, 12/03/2014

Dissertations

(D2) , First principle kinetic study of butene cracking on H-ZSM-5 , P. Cnudde , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck , 2014