Researcher
Kristof De Wispelaere
- Keywords:Molecular modeling, zeolites, heterogeneos catalysis
- Disciplines:Heterogeneous catalysis, Statistical mechanics in chemistry, Theoretical and computational chemistry not elsewhere classified, Cheminformatics, (Bio)molecular modelling and design, Metals and alloy materials, Destructive and non-destructive testing of materials
Affiliations
- Department of Electromechanical, Systems and Metal Engineering (Department)
Member
From1 Aug 2019 → 15 Aug 2021 - Department of Applied physics (Department)
Member
From1 Oct 2011 → 31 Jul 2019
Projects
1 - 7 of 7
- Ultra-high Pressure Rheometry for Thermomechanical Characterization of Liquid Lubricants.From1 Jun 2021 → 31 May 2023Funding: IOF - technology concept exploration
- Large-scale, multi-axial mechanical testing of components and structures for the energy transition, make industry and civil infrastructureFrom1 Apr 2021 → 31 Mar 2023Funding: IOF - technology validation in lab
- Controlling the combustion in HCCI engines by Piston Assisted Compression IgnitionFrom23 Sep 2019 → 31 Mar 2021Funding: IOF - technology concept exploration
- bench fee Kristof De WispelaereFrom1 Aug 2019 → 15 Aug 2021Funding: IOF - mandates
- Selectivity tuning in the alcohol to hydrocarbons conversion by molecular engineering of active sitesFrom1 Oct 2016 → 1 Aug 2019Funding: FWO fellowships
- MetalsFrom1 Feb 2016 → TodayFunding: IOF - mandates
- Ab initio investigation on the activity and selectivity of single active sites in nanoporous materialsFrom1 Oct 2011 → 30 Sep 2015Funding: FWO fellowships, BOF - Other initiatives
Publications
1 - 10 of 48
- Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts(2020)
Authors: I. Lezcano-Gonzalez, E. Campbell, Alexander Hoffman, Massimo Bocus, I. V. Sazanovich, M. Towrie, M. Agote-Aran, E. K. Gibson, A. Greenaway, Kristof De Wispelaere, et al.
Pages: 1081 - 1087 - Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loadings and Si/Al ratios using first-principles molecular dynamics simulations(2020)
Authors: Stefan A. F. Nastase, Pieter Cnudde, Louis Vanduyfhuys, Kristof De Wispelaere, C. Richard A. Catlow, Andrew J. Logsdail
Pages: 8904 - 8915 - A supramolecular view on the cooperative role of Brønsted and Lewis acid sites in zeolites for methanol conversion(2019)
Authors: Simon Bailleul, Irina Yarulina, Alexander Hoffman, Abhay Dokania, Edy Abou-Hamad, Abhishek Dutta Chowdhury, Giovanni Pieters, Julianna Hajek, Kristof De Wispelaere, Michel Waroquier, et al.
Pages: 14823 - 14842 - Effect of zeolite topology and reactor configuration on the direct conversion of CO2 to light olefins and aromatics(2019)
Authors: Adrian Ramirez, Abhishek Dutta Chowdhury, Abhay Dokania, Pieter Cnudde, Mustafa Caglayan, Irina Yarulina, Edy Abou-Hamad, Lieven Gevers, Samy Ould-Chikh, Kristof De Wispelaere, et al.
Pages: 6320 - 6334 - Ethene dimerization on zeolite-hosted Ni ions : reversible mobilization of the active site(2019)
Authors: Rasmus Yding Brogaard, Mustafa Kømurcu, Michael Martin Dyballa, Alexandru Botan, Veronique Van Speybroeck, Unni Olsbye, Kristof De Wispelaere
Pages: 5645 - 5650 - How chain length and branching influence the alkene cracking reactivity on H-ZSM-5(2018)
Authors: Pieter Cnudde, Kristof De Wispelaere, Louis Vanduyfhuys, Ruben Demuynck, Jeroen Van der Mynsbrugge
Pages: 9579 - 9595 - On the intrinsic dynamic nature of the rigid UiO-66 metal-organic framework(2018)
Authors: Julianna Hajek, Chiara Caratelli, Ruben Demuynck, Kristof De Wispelaere, Louis Vanduyfhuys
Pages: 2723 - 2732 - Entropy contributions to transition state modeling(2017)
Authors: Kristof De Wispelaere, Louis Vanduyfhuys, Richard A. Catlow, Rutger van Santen
Pages: 189 - 228 - Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5(2017)
Authors: Pieter Cnudde, Kristof De Wispelaere, Jeroen Van der Mynsbrugge
Pages: 53 - 69 - Theoretical tool box for a better catalytic understanding(2017)
Authors: Michel Waroquier, Kristof De Wispelaere, Julianna Hajek, Sven Rogge, Jeroen Van der Mynsbrugge, Veronique Van Speybroeck, Marcel Van de Voorde, Bert Sels
Pages: 1055 - 1099