Jeroen Van der Mynsbrugge
No current affiliation with UGent
- ORCID iD
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0000-0003-3852-4726
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- Journal Article
- A1
- open access
How chain length and branching influence the alkene cracking reactivity on H-ZSM-5
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- Journal Article
- A1
- open access
Understanding brønsted-acid catalyzed monomolecular reactions of Alkanes in Zeolite Pores by combining insights from experiment and theory
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Theoretical tool box for a better catalytic understanding
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Theoretical analysis of the influence of pore geometry on monomolecular cracking and dehydrogenation of n-Butane in Brønsted acidic zeolites
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- Journal Article
- A1
- open access
Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5
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- Journal Article
- A1
- open access
On the stability and nature of adsorbed pentene in Bronsted acid zeolite H-ZSM-5 at 323 K
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First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study
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Insight into the formation and reactivity of framework-bound methoxide species in H-ZSM-5 from static and dynamic molecular simulations
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Molecular-level understanding of adsorption and zeolite-catalyzed reactions in the methanol-to-olefins process
(2014) -
- Conference Paper
- C3
- open access
Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5
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- Conference Paper
- C3
- open access
First-principle kinetic study of butene cracking on H-ZSM-5
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- Conference Paper
- C3
- open access
Selective catalytic reduction of NOx by ammonia: adsorption of NO on Cu-SSZ-13 using Ab initio simulations
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Molecular dynamics kinetic study on the zeolite-catalyzed benzene methylation in ZSM-5
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- Conference Paper
- C3
- open access
Unraveling the reaction mechanism of methanol conversion : the synergy between extended cluster models and molecular dynamics
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- Conference Paper
- C3
- open access
The mechanism of methanol conversion: insight from extended cluster models and molecular dynamics
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Enthalpy and entropy barriers explain the effects of topology on the kinetics of zeolite-catalyzed reactions
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Unraveling the reaction mechanisms governing methanol-to-olefins catalysis by theory and experiment
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Mechanistic studies on chabazite-type methanol-to-olefin catalysts: insights from time-resolved UV/Vis microspectroscopy combined with theoretical simulations
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- Journal Article
- A1
- open access
Methylation of benzene by methanol: single-site kinetics over H-ZSM-5 and H-beta zeolite catalysts
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A combined theoretical and in-situ spectroscopy study to obtain mechanistic insight into active MTO routes in chabazite derived topologies
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Kinetic study on the effects of zeolite topology on methylation reactions in the methanol-to-olefins process
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- Journal Article
- A1
- open access
Efficient approach for the computational study of alcohol and nitrile adsorption in H-ZSM-5
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- Conference Paper
- C3
- open access
Kinetic study on key reaction steps in methanol-to-olefin conversion: influence of catalyst topology
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Kinetic study of methylation reactions in zeolites
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- Conference Paper
- C3
- open access
Investigation of confinement effects on zeolite-catalyzed methylation reactions
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- Conference Paper
- C3
- open access
Ab initio study on the deactivation of zeolite and zeotype catalysts during the MTO process
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First principle kinetic studies of zeolite-catalyzed methylation reactions
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First principle study on the kinetics of zeolite-catalyzed methylation reactions
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Effects of zeolite topology on methylation reactions in the MTO process from a theoretical perspective
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Ab initio study on the deactivation of an H-SSZ-13 and H-SAPO-34 catalyst during the MTO process
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Full theoretical cycle for both Ethene and Propene formation during Methanol-to-Olefin conversion in H-ZSM-5
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- Conference Paper
- C3
- open access
Assessment of a computationally efficient protocol for the study of adsorption complexes in zeolites
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- Conference Paper
- C1
- open access
Diffusion and adsorption of aromatic guests in MOFs studied by ab initio and force field simulations including lattice dynamics
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Development of first principle based force fields to describe adsorption and diffusion in MOFs including lattice dynamics
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- Conference Paper
- C3
- open access
First principle kinetic studies of zeolite-catalyzed methylation reactions: towards kinetic accuracy for rate constants
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- Journal Article
- A1
- open access
Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion
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- Conference Paper
- C3
- open access
Insights on the adsorption behavior of aromatics in MIL-47 and MIL-53 from a theoretical perspective
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- Conference Paper
- C3
- open access
Theoretical study of adsorption complexes in H-ZSM-5
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- Conference Paper
- C3
- open access
Theoretical validation of a fully functional route to both ethene and propene formation for methanol-to-olefin conversion in H-ZSM-5
(2010) -
- Conference Paper
- C3
- open access
Theoretical verification of the alkene hydrocarbon pool cycle for MTO conversion in ZSM-5