Researcher
Pieter Cnudde
- Disciplines:Chemical kinetics and thermodynamics, Heterogeneous catalysis, Theoretical and computational chemistry not elsewhere classified, Quantum chemistry
Affiliations
- Department of Applied physics (Department)
Member
From9 Jul 2014 → Today
Projects
1 - 1 of 1
- Exploring strategies to tune the selectivity of the CO2-to-chemicals conversion on zeolite catalysts by molecular simulationsFrom1 Oct 2021 → TodayFunding: FWO junior postdoctoral fellowship
Publications
1 - 10 of 18
- Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations(2023)
Authors: Veronique Van Speybroeck, Massimo Bocus, Pieter Cnudde, Louis Vanduyfhuys
Pages: 11455 - 11493 - Universal descriptors for zeolite topology and acidity to predict the stability of butene cracking intermediates(2023)
Authors: Pieter Cnudde, Michel Waroquier, Veronique Van Speybroeck
Pages: 4857 - 4872 - Mobility and reactivity of Cu+ species in Cu-CHA catalysts under NH3-SCR-NOx reaction conditions : insights from AIMD simulations(2021)
Authors: Reisel Millán Cabrera, Pieter Cnudde, Mercedes Boronat
Pages: 1778 - 1787 - Coordination and activation of nitrous oxide by iron zeolites(2021)
Authors: Max L. Bols, Benjamin E. R. Snyder, Hannah M. Rhoda, Pieter Cnudde, Ghinwa Fayad, Robert A. Schoonheydt, Edward I. Solomon, Bert F. Sels
Pages: 332 - 340 - Experimental and theoretical evidence for the promotional effect of acid sites on the diffusion of alkenes through smallU+2010pore zeolites(2021)
Authors: Pieter Cnudde, Evgeniy A. Redekop, Weili Dai, Natale G. Porcaro, Silvia Bordiga, Michael Hunger, Landong Li, Unni Olsbye
Pages: 10016 - 10022 - Acidity effect on benzene methylation kinetics over substituted H-MeAlPO-5 catalysts(2021)
Authors: Magnus Mortén, Tomás Cordero-Lanzac, Pieter Cnudde, Evgeniy A. Redekop, Stian Svelle, Veronique Van Speybroeck, Unni Olsbye
Pages: 594 - 606 - Ab initio enhanced sampling kinetic study on MTO ethene methylation reaction(2020)
Authors: Simon Bailleul, Karen Dedecker, Pieter Cnudde, Louis Vanduyfhuys
Pages: 38 - 51 - Cation-pi Interactions accelerate the living cationic ring-opening polymerization of unsaturated 2-alkyl-2-oxazolines(2020)
Authors: Elias Van Den Broeck, Bart Verbraeken, Karen Dedecker, Pieter Cnudde, Louis Vanduyfhuys, Toon Verstraelen, Kristof Van Hecke, Valentin-Victor Jerca, Saron Catak, Richard Hoogenboom
Pages: 3832 - 3846 - 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 - Theoretical and spectroscopic evidence of the dynamic nature of copper active sites in Cu-CHA catalysts under selective catalytic reduction (NH3U+2013SCRU+2013NOx) conditions(2020)
Authors: Reisel Millán Cabrera, Pieter Cnudde, Alexander Hoffman, Christian W. Lopes, Patricia Concepción, Mercedes Boronat
Pages: 10060 - 10066