Research Explorer

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Researcher

Simon Bailleul

Awards & Distinctions

8 Results

2020

Ab initio enhanced sampling kinetic study on MTO ethene methylation reaction

Simon BailleulKaren DedeckerPieter CnuddeLouis VanduyfhuysMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CATALYSIS

2019

A supramolecular view on the cooperative role of Brønsted and Lewis acid sites in zeolites for methanol conversion

Simon BailleulIrina YarulinaAlexander HoffmanAbhay DokaniaEdy Abou-HamadAbhishek Dutta ChowdhuryGiovanni PietersJulianna HajekKristof De WispelaereMichel Waroquier et al.

A1 Journal Article in JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Insight into the role of water on the methylation of hexamethylbenzene in H‐SAPO‐34 from first principle molecular dynamics simulations

Simon BailleulSven RoggeLouis VanduyfhuysVeronique Van Speybroeck

A1 Journal Article in CHEMCATCHEM

Operando first principle simulations of important chemical transformations over zeolites within the methanol-to-olefin process

Simon BailleulVeronique Van Speybroeck

2018

Structure–performance descriptors and the role of Lewis acidity in the methanol-to-propylene process

Irina YarulinaKristof De WispelaereSimon BailleulJoris GoetzeMike RadersmaEdy Abou-HamadIna VollmerMaarten GoestenBrahim MezariEmiel J. M. Hensen et al.

A1 Journal Article in NATURE CHEMISTRY

Structure–performance descriptors and the role of Lewis acidity in the methanol-to-propylene process

Irina YarulinaKristof De WispelaereSimon BailleulJoris GoetzeMike RadersmaEdy Abou-HamadIna VollmerMaarten GoestenBrahim MezariEmiel J. M. Hensen et al.

2016

Suppression of the aromatic cycle in methanol-to-olefins reaction over ZSM-5 by post-synthetic modification using calcium

Irina YarulinaSimon BailleulAlexey PustovarenkoJavier Ruiz MartinezKristof De WispelaereJulianna HajekBert M. WeckhuysenKlaartje HoubenMarc BaldusVeronique Van Speybroeck et al.

A1 Journal Article in ChemCatChem

Towards molecular control of elementary reactions in zeolite catalysis by advanced molecular simulations mimicking operating conditions

Kristof De WispelaereSimon BailleulVeronique Van Speybroeck

A1 Journal Article in CATALYSIS SCIENCE & TECHNOLOGY