Jeroen Van der Mynsbrugge

Publications

A1 publications

Published

2018

[A1 Publication] How chain length and branching influence the alkene cracking reactivity on H-ZSM-5

Authors

Cnudde P.; De Wispelaere K.; Vanduyfhuys L.; Demuynck R.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

ACS Catalysis 2018. 8(10): 9579 - 9595.

http://dx.doi.org/10.1021/acscatal.8b01779

[A1 Publication] Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory

Authors

Van der Mynsbrugge J.; Janda A.; Lin L.-C.; Van Speybroeck V.; Head-Gordon M.; Bell A. T.

ChemPhysChem 2018. 19(4): 341 - 358.

http://dx.doi.org/10.1002/cphc.201701084

2017

[A1 Publication] Theoretical Analysis of the Influence of Pore Geometry on Monomolecular Cracking and Dehydrogenation of n-Butane in Brønsted-Acid Zeolites

Authors

Van der Mynsbrugge J.; Janda A.; Mallikarjun Sharada S.; Lin L.-C.; Van Speybroeck V.; Head-Gordon M.; Bell A. T.

ACS Catalysis 2017. 7(4): 2685 - 2697.

http://dx.doi.org/10.1021/acscatal.6b03646

[A1 Publication] Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5

Authors

Cnudde P.; De Wispelaere K.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

Journal of Catalysis 2017. 345: 53 - 69. IF: 6.759 6/137 [Q1]

http://dx.doi.org/10.1016/j.jcat.2016.11.010

2016

[A1 Publication] On the stability and nature of adsorbed pentene in Brønsted acid zeolite H-ZSM-5 at 323 K

Authors

Hajek J.; Van der Mynsbrugge J.; De Wispelaere K.; Cnudde P.; Vanduyfhuys L.; Waroquier M.; Van Speybroeck V.

Journal of Catalysis 2016. 340: 227 - 235. IF: 6.844 5/135 [Q1]

http://dx.doi.org/10.1016/j.jcat.2016.05.018

2014

[A1 Publication] First principle chemical kinetics in zeolites: The Methanol-to-Olefin process as a case study

Authors

Van Speybroeck V.; De Wispelaere K.; Van der Mynsbrugge J.; Vandichel M.; Hemelsoet K.; Waroquier M.

Chemical Society Reviews 2014. 43(21): 7326 - 7357. IF: 33.383 2/157 [Q1]

http://dx.doi.org/10.1039/C4CS00146J

[A1 Publication] Insight into the Formation and Reactivity of Framework-Bound Methoxide Species in H-ZSM-5 from Static and Dynamic Molecular Simulations

Authors

Van der Mynsbrugge J.; Moors S. L.; De Wispelaere K.; Van Speybroeck V.

ChemCatChem 2014. 6(7): 1906 - 1918. IF: 4.556 31/139 [Q1]

http://dx.doi.org/10.1002/cctc.201402146

2013

[A1 Publication] Molecular dynamics kinetic study on the zeolite-catalyzed benzene methylation in ZSM-5

Authors

Moors S. L.; De Wispelaere K.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

ACS Catalysis 2013. 3(11): 2556 - 2567. IF: 13.1 21/185 [Q1]

http://dx.doi.org/10.1021/cs400706e

[A1 Publication] Enthalpy and entropy barriers explain the effects of topology on the kinetics of zeolite-catalyzed reactions

Authors

Van der Mynsbrugge J.; De Ridder J.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

Chemistry-A European Journal 2013. 19(35): 11568 - 11576. IF: 3.7 95/239 [Q2]

http://dx.doi.org/10.1002/chem.201301272

[A1 Publication] Unraveling the Reaction Mechanisms Governing Methanol-to-Olefins Catalysis by Theory and Experiment

Authors

Hemelsoet K.; Van der Mynsbrugge J.; De Wispelaere K.; Waroquier M.; Van Speybroeck V.

ChemPhysChem 2013. 14(8): 1526 - 1545. IF: 2.2 140/185 [Q4]

http://dx.doi.org/10.1002/cphc.201201023

[A1 Publication] Mechanistic Studies on Chabazite-Type Methanol-to-Olefin Catalysts: Insights from Time-Resolved UV/Vis Microspectroscopy Combined with Theoretical Simulations

Authors

Van Speybroeck V.; Hemelsoet K.; De Wispelaere K.; Qian Q.; Van der Mynsbrugge J.; De Sterck B.; Weckhuysen B. M.; Waroquier M.

ChemCatChem 2013. 5(1): 173 - 184. IF: 3.9 84/185 [Q2]

http://dx.doi.org/10.1002/cctc.201200580

2012

[A1 Publication] Methylation of benzene by methanol: single-site kinetics over H-ZSM-5 and H-beta zeolite catalysts

Authors

Van der Mynsbrugge J.; Visur M.; Olsbye U.; Beato P.; Bjørgen M.; Van Speybroeck V.; Svelle S.

Journal of Catalysis 2012. 292: 201 - 212. IF: 6.5 50/185 [Q2]

http://dx.doi.org/10.1016/j.jcat.2012.05.015

[A1 Publication] Efficient Approach for the Computational Study of Alcohol and Nitrile Adsorption in H-ZSM-5

Authors

Van der Mynsbrugge J.; Hemelsoet K.; Vandichel M.; Waroquier M.; Van Speybroeck V.

Journal of Physical Chemistry C 2012. 116(9): 5499 - 5508. IF: 3.2 95/185 [Q2]

http://dx.doi.org/10.1021/jp2123828

2011

[A1 Publication] First principle kinetic studies of zeolite-catalyzed methylation reactions

Authors

Van Speybroeck V.; Van der Mynsbrugge J.; Vandichel M.; Hemelsoet K.; Lesthaeghe D.; Ghysels A.; Marin G. B.; Waroquier M.

Journal of the American Chemical Society 2011. 133(4): 888 - 899. IF: 15.7 17/239 [Q1]

http://dx.doi.org/10.1021/ja1073992

[A1 Publication] Full Theoretical Cycle for both Ethene and Propene Formation during Methanol-to-Olefin Conversion in H-ZSM-5

Authors

Lesthaeghe D.; Van der Mynsbrugge J.; Vandichel M.; Waroquier M.; Van Speybroeck V.

ChemCatChem 2011. 3(1): 208 - 212.

http://dx.doi.org/10.1002/cctc.201000286

2010

[A1 Publication] Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion

Authors

Vandichel M.; Lesthaeghe D.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

Journal of Catalysis 2010. 271(1): 67 - 78. IF: 6.5 50/185 [Q2]

http://dx.doi.org/10.1016/j.jcat.2010.02.001

Other publications

Books [B1/B2/B3]

Book chapter

[Book chapter] A Theoretical Toolbox for a Better Catalytic Understanding

Waroquier M.; De Wispelaere K.; Hajek J.; Rogge S. M. J.; Van der Mynsbrugge J.; Van Speybroeck V.

In Nanotechnology in Catalysis: Applications in the Chemical Industry, Energy Development, and Environment Protection, 3 Volumes, Wiley-VCH, 2017. 1055 - 1099. ISBN/ISSN: 978-3-527-33914-3

Dissertations [MSc and PhD]

PhD thesis

2014

[PhD Thesis] Molecular-Level Understanding of Adsorption and Zeolite-Catalyzed Reactions in the Methanol-to-Olefins Process

Authors

Van der Mynsbrugge J.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

Doctor of Chemical Engineering, 23/05/2014.

Master thesis

2009

[MSc Thesis] Verificatie van de alkeencyclus voor MTO-conversie in ZSM-5

Authors

Van der Mynsbrugge J.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

prof. dr. Michel Waroquier

Master of Science in Chemical Engineering, 2009.

Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]

Invited talks

2013

[Invited talk] The Mechanism of Methanol Conversion: Insight from Extended Cluster Models and Molecular Dynamics

Authors

De Wispelaere K.; Hemelsoet K.; Moors S. L.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

4th Annual Global Congress of Catalysis (GCC-2013), Dalian Shi, CN, 29/06/2013 - 01/07/2013

Talks

2017

[Talk] Analyzing the stability and reactivity of carbenium ion intermediates in H-ZSM-5 catalyzed octene cracking

Authors

Cnudde P.; De Wispelaere K.; Waroquier M.; Van der Mynsbrugge J.; Van Speybroeck V.

Europacat 2017, Florence, IT, 27/08/2017 - 31/08/2017

[Talk] Exploring the nature and reactivity of alkene cracking intermediates in H-ZSM-5 with molecular simulations

Authors

Cnudde P.; De Wispelaere K.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

NCCC XVIII, Noordwijkerhout, NL, 06/03/2017 - 08/03/2017

2016

[Talk] A theoretical study of reactive intermediates in H-ZSM-5 catalyzed alkene cracking

Authors

Cnudde P.; De Wispelaere K.; Van der Mynsbrugge J.; Hajek J.; Waroquier M.; Van Speybroeck V.

Chemical Research in Flanders Symposium, Blankenberge, BE, 24/10/2016 - 26/10/2016

[Talk] On the stability and nature of adsorbed pentene in Brønsted acid zeolite H-ZSM-5

Authors

Hajek J.; Van der Mynsbrugge J.; De Wispelaere K.; Cnudde P.; Waroquier M.; Van Speybroeck V.

252nd American Chemical Society (ACS) National Meeting, Philadelphia, US, 21/08/2016 - 25/08/2016

[Talk] Unraveling the nature of reactive intermediates in H-MFI catalyzed pentene cracking using molecular dynamics simulations

Authors

Cnudde P.; De Wispelaere K.; Hajek J.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

18th International Zeolite Conference (IZC18), Rio de Janeiro, BR, 19/06/2016 - 24/06/2016

2015

[Talk] Solvation and primary structure effects on the deamidation of asparaginyl residues in peptides

Authors

Van der Mynsbrugge J.; Moors S. L.; Van Speybroeck V.; Catak S.

250th ACS National Meeting & Exposition - Division of Computers in Chemistry (COMP), Boston, US, 16/08/2015 - 20/08/2015

[Talk] Toward a more accurate description of adsorption in Brønsted acid zeolites by combining static and dynamic molecular simulations

Authors

Van der Mynsbrugge J.; De Wispelaere K.; Cnudde P.; Van Speybroeck V.

250th ACS National Meeting & Exposition - Division of Catalysis Science and Technology (CATL), Boston, US, 16/08/2015 - 20/08/2015

[Talk] Molecular Dynamics Study of Butene Cracking Intermediates in H-ZSM-5

Authors

Cnudde P.; Van der Mynsbrugge J.; De Wispelaere K.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

NCCC XVI, Noordwijkerhout, NL, 02/03/2015 - 04/03/2015

2014

[Talk] Insight into the formation and reactivity of framework-bound methoxide species in H-ZSM-5 from static and dynamic molecular simulations

Authors

Van der Mynsbrugge J.; Moors S. L.; De Wispelaere K.; Van Speybroeck V.

15th International Conference on Theoretical Aspects of Catalysis (ICTAC15), London, GB, 30/06/2014 - 04/07/2014

[Talk] The influence of catalyst acid strength on reactions relevant for Methanol To Hydrocarbons (MTH) catalysis

Authors

Westgård Erichsen M.; De Wispelaere K.; Van der Mynsbrugge J.; Moors S. L.; Deconinck T.; Svelle S.; Hemelsoet K.; Van Speybroeck V.; Olsbye U.

16th Nordic Symposium on Catalysis (NSC2014), Oslo, NO, 15/06/2014 - 17/06/2014

[Talk] Molecular dynamics kinetic study on zeolite-catalyzed reactions

Authors

De Wispelaere K.; Moors S. L.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

NCCC XV, Noordwijkerhout, NL, 10/03/2014 - 12/03/2014

2013

[Talk] Elucidating the mechanism and kinetics of pentene cracking on H-ZSM-5 by combining theory with experiment

Authors

Van der Mynsbrugge J.; Schallmoser S.; Sanchez-Sanchez M.; Waroquier M.; Lercher J. A.; Van Speybroeck V.

Gordon Research Seminar Nanoporous Materials & Their Applications, Holderness, US, 10/08/2013 - 11/08/2013

2012

[Talk] Finding an optimal zeolite catalyst: it’s what’s inside that matters

Authors

Van der Mynsbrugge J.

13th FEA PhD Symposium, Ghent, BE, 05/12/2012

[Talk] A combined theoretical and in-situ spectroscopy study to obtain mechanistic insight into active MTO routes in chabazite derived topologies

Authors

Van Speybroeck V.; Hemelsoet K.; De Wispelaere K.; Van der Mynsbrugge J.; Waroquier M.; Qian Q.; Weckhuysen B. M.

ICC 2012, München, DE, 01/07/2012 - 06/07/2012

[Talk] Identification of Carbonaceous Compounds in H-SAPO-34: a Combined TDDFT and In-situ Spectroscopy Study

Authors

Hemelsoet K.; Qian Q.; De Wispelaere K.; Van der Mynsbrugge J.; Waroquier M.; Weckhuysen B. M.; Van Speybroeck V.

ZMPC2012, Hiroshima, JP, 28/07/2012 - 01/08/2012

[Talk] Kinetic study on key reaction steps in methanol-to-olefin conversion: influence of catalyst topology

Authors

Van der Mynsbrugge J.; De Ridder J.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

NCCC XIII, Noordwijkerhout, NL, 05/03/2012 - 07/03/2012

2011

[Talk] Investigation of Confinement Effects on Zeolite-Catalyzed Methylation Reactions

Authors

Van der Mynsbrugge J.; De Wispelaere K.; De Ridder J.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

9th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2011), Santiago de Compostela, ES, 17/07/2011 - 22/07/2011

[Talk] Kinetic study of methylation reactions in zeolites

Authors

Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

ACS Spring 2011 National Meeting & Exposition, Anaheim, US, 27/03/2011 - 31/03/2011

2010

[Talk] First principle kinetic studies of zeolite-catalyzed methylation reactions: towards kinetic accuracy for rate constants

Authors

Van Speybroeck V.; Van der Mynsbrugge J.; Vandichel M.; Hemelsoet K.; Lesthaeghe D.; Waroquier M.

1st International Workshop of the European Nanoporous Materials Institut e of Excellence (ENMIX), Antwerp, BE, 04/10/2010 - 05/10/2010

[Talk] Development of first principle based force fields to describe adsorption and diffusion in MOFs including lattice dynamics

Authors

Van Speybroeck V.; Vanduyfhuys L.; Verstraelen T.; Vandichel M.; Van der Mynsbrugge J.; Waroquier M.

Metal Organic Frameworks (MOF 2010), Marseille, FR, 05/09/2010 - 08/09/2010

[Talk] Insights on the adsorption behavior of aromatics in MIL-47 and MIL-53 from a theoretical perspective

Authors

Vandichel M.; Van der Mynsbrugge J.; Verstraelen T.; Maes M.; Alaerts L.; De Vos D.; Waroquier M.

NCCC XI, Noordwijkerhout, NL, 01/03/2010 - 03/03/2010

Posters

2017

[Poster] On the nature and stability of butene cracking intermediates in H-ZSM-5

Authors

Cnudde P.; De Wispelaere K.; Waroquier M.; Van der Mynsbrugge J.; Van Speybroeck V.

FEARS2017, Ghent, BE, 15/02/2017

2016

[Poster] Molecular simulations elucidate the nature and stability of alkene cracking intermediates on H-ZSM-5

Authors

Cnudde P.; De Wispelaere K.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

Annual IAP meeting (2016), Liège, BE, 12/09/2016

[Poster] Ab initio molecular dynamics study on the influence of water on methanol conversion in H-SAPO-34

Authors

Bailleul S.; De Wispelaere K.; Van der Mynsbrugge J.; Hemelsoet K.; Van Speybroeck V.

MolSim 2016: Understanding Molecular Simulations, Amsterdam, NL, 08/01/2016

2015

[Poster] Ab initio molecular dynamics study on the influence of water on methanol conversion in H-SAPO-34

Authors

Bailleul S.; De Wispelaere K.; Van der Mynsbrugge J.; Hemelsoet K.; Van Speybroeck V.

Annual IAP Meeting (2015), Hasselt, BE, 11/09/2015

[Poster] Ab initio study on the nature of intermediates in zeolite catalyzed butene cracking

Authors

Cnudde P.; De Wispelaere K.; Van der Mynsbrugge J.; Van Speybroeck V.

Annual IAP Meeting (2015), Hasselt, BE, 11/09/2015

[Poster] Toward a more accurate computational description of adsorption in Brønsted acid zeolites

Authors

Van der Mynsbrugge J.; De Wispelaere K.; Cnudde P.; Van Speybroeck V.

Gordon Research Conference Nanoporous Materials & Their Applications, Holderness, US, 09/08/2015 - 14/08/2015

[Poster] Static and dynamic study of alkene cracking intermediates in H-ZSM-5

Authors

Cnudde P.; Van der Mynsbrugge J.; De Wispelaere K.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

9th International Conference on Chemical Kinetics (ICCK2015), Ghent, BE, 28/06/2015 - 02/07/2015

[Poster] Ab initio study on the influence of water on methanol conversion in H-SAPO-34

Authors

Bailleul S.; De Wispelaere K.; Van der Mynsbrugge J.; Hemelsoet K.; Van Speybroeck V.

NCCC XVI, Noordwijkerhout, NL, 02/03/2015 - 04/03/2015

[Poster] Dynamic ab initio study on the influence of acid strength on MTO conversion in H-SAPO-5 and H-SSZ-24

Authors

Matton M.; De Wispelaere K.; Van der Mynsbrugge J.; Hemelsoet K.; Van Speybroeck V.

NCCC XVI, Noordwijkerhout, NL, 02/03/2015 - 04/03/2015

[Poster] Selective Catalytic Reduction of NOx: nature and location of Cu in CuSSZ-13 using Molecular Dynamics

Authors

Vernimmen B.; Van der Mynsbrugge J.; Van Yperen-De Deyne A.; Hemelsoet K.

NCCC XVI, Noordwijkerhout, NL, 02/03/2015 - 04/03/2015

2014

[Poster] First-principle kinetic study of butene cracking on H-ZSM-5

Authors

Cnudde P.; Van der Mynsbrugge J.; De Wispelaere K.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

Dutch Zeolite Association “On Hybrids and Zeolites”, Ghent, BE, 07/10/2014

[Poster] Molecular simulations elucidate the formation and reactivity of framework-bound methoxide species in H-ZSM-5

Authors

Van der Mynsbrugge J.; Moors S. L.; De Wispelaere K.; Van Speybroeck V.

Dutch Zeolite Association “On Hybrids and Zeolites”, Ghent, BE, 07/10/2014

[Poster] First-principle kinetic study of butene cracking on H-ZSM-5

Authors

Cnudde P.; Van der Mynsbrugge J.; De Wispelaere K.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

6 th FEZA Conference 2014, Leipzig, DE, 08/09/2014 - 11/09/2014

[Poster] Selective Catalytic Reduction of NOx by ammonia: Adsorption of NO on Cu-SSZ-13 using Ab initio simulations

Authors

Van Den Heede T.; De Wispelaere K.; Van der Mynsbrugge J.; Lezcano-Gonzalez I.; Baele A.; Weckhuysen B. M.; Van Speybroeck V.; Hemelsoet K.

XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV), Noordwijkerhout, NL, 10/03/2014

[Poster] Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5

Authors

Deconinck T.; De Wispelaere K.; Van der Mynsbrugge J.; Moors S. L.; Westgård Erichsen M.; Svelle S.; Olsbye U.; Hemelsoet K.; Van Speybroeck V.

XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV), Noordwijkerhout, NL, 10/03/2014

[Poster] First-principle kinetic study of butene cracking on H-ZSM-5

Authors

Cnudde P.; Van der Mynsbrugge J.; De Wispelaere K.; Hemelsoet K.; Van Speybroeck V.

XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV), Noordwijkerhout, NL, 10/03/2014

2013

[Poster] Ab initio metadynamics study on the zeolite-catalyzed benzene methylation in ZSM-5

Authors

Moors S. L.; De Wispelaere K.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

Annual IAP Meeting (2013), Ghent, BE, 18/09/2013

[Poster] Ab initio metadynamics study on the zeolite-catalyzed benzene methylation in ZSM-5

Authors

Moors S. L.; De Wispelaere K.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

Molecular Kinetics 2013, Berlin, DE, 02/09/2013 - 05/09/2013

[Poster] Elucidating the kinetics of pentene cracking on H-ZSM-5 by combining theory with experiment

Authors

Van der Mynsbrugge J.; Schallmoser S.; Waroquier M.; Lercher J. A.; Van Speybroeck V.

IZC17, Moscow, RU, 07/07/2013 - 12/07/2013

[Poster] Unraveling the Reaction Mechanism of Methanol Conversion: the Synergy between Extended Cluster Models and Molecular Dynamics

Authors

De Wispelaere K.; Hemelsoet K.; Moors S. L.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

23rd North American Catalysis Society Meeting (NAM23), Louisville, US, 02/06/2013 - 07/06/2013

[Poster] Elucidating the kinetics of pentene cracking on H-ZSM-5 by combining theory with experiment

Authors

Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

CECAM Workshop - Simulating Activated Processes In Physics And Chemistry: Theoretical Foundations, Villars, CH, 03/02/2013 - 08/02/2013

2012

[Poster] Kinetic study on the effects of zeolite topology on methylation reactions in the methanol-to-olefins process

Authors

Van der Mynsbrugge J.; De Ridder J.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

ICTAC-14, Koudekerke/Vlissingen, NL, 26/06/2012 - 30/06/2012

2011

[Poster] Ab initio study on the deactivation of zeolite and zeotype catalysts during the MTO process

Authors

De Wispelaere K.; Van der Mynsbrugge J.; De Sterck B.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

5th International FEZA conference, Valencia, ES, 03/07/2011 - 07/07/2011

[Poster] Effects of zeolite topology on methylation reactions in the MTO process from a theoretical perspective

Authors

De Ridder J.; Van der Mynsbrugge J.; De Sterck B.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

NCCC XII, Noordwijkerhout, NL, 28/02/2011 - 02/03/2011

[Poster] Ab initio study on the deactivation of an H-SSZ-13 and H-SAPO-34 catalyst during the MTO process

Authors

De Wispelaere K.; Van der Mynsbrugge J.; De Sterck B.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.

NCCC XII, Noordwijkerhout, NL, 28/02/2011 - 02/03/2011

[Poster] First principle study on the kinetics of zeolite-catalyzed methylation reactions

Authors

Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

NCCC XII, Noordwijkerhout, NL, 28/02/2011 - 02/03/2011

2010

[Poster] Diffusion and adsorption of aromatic guests in MOFs studied by ab initio and force field simulations including lattice dynamics

Authors

Vanduyfhuys L.; Verstraelen T.; Vandichel M.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

Metal Organic Frameworks (MOF 2010), Marseille, FR, 05/09/2010 - 08/09/2010

[Poster] Assessment of a computationally efficient protocol for the study of adsorption complexes in zeolites

Authors

Van der Mynsbrugge J.; Hemelsoet K.; Vandichel M.; Waroquier M.; Van Speybroeck V.

IZC16 & IMMS7 (2010), Sorrento, IT, 04/07/2010 - 09/07/2010

[Poster] Theoretical study of adsorption complexes in H-ZSM-5

Authors

Van der Mynsbrugge J.; Hemelsoet K.; Vandichel M.; Waroquier M.; Van Speybroeck V.

NCCC XI, Noordwijkerhout, NL, 01/03/2010 - 03/03/2010

[Poster] Theoretical validation of a fully functional route to both ethene and propene formation for MTO conversion in H-ZSM-5

Authors

Van der Mynsbrugge J.; Lesthaeghe D.; Vandichel M.; Waroquier M.; Van Speybroeck V.

Quantum Chemistry in Belgium 9th edition (QCB9), Louvain-la-Neuve, BE, 26/01/2010

2009

[Poster] Theoretical verification of the alkene hydrocarbon pool cycle for MTO conversion in ZSM-5

Authors

Van der Mynsbrugge J.; Lesthaeghe D.; Vandichel M.; Van Speybroeck V.; Waroquier M.

Xth Netherlands' Catalysis and Chemistry Conference (NCCC X), Noordwijkerhout, NL, 02/03/2009 - 04/03/2009

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

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Jeroen Van der Mynsbrugge

Publications

A1 publications

Published

2018

2017

2016

2014

2013

2012

2011

2010

Other publications

Books [B1/B2/B3]

Book chapter

Dissertations [MSc and PhD]

PhD thesis

2014

Master thesis

2009

Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]

Invited talks

2013

Talks

2017

2016

2015

2014

2013

2012

2011

2010

Posters

2017

2016

2015

2014

2013

2012

2011

2010

2009

Contact information

References