Print Email Facebook Twitter Catalytic methane conversion with single-site porous catalysts: a computational approach Title Catalytic methane conversion with single-site porous catalysts: a computational approach Author Szécsényi, A. (TU Delft ChemE/Catalysis Engineering) Contributor Pidko, E.A. (promotor) Gascon, Jorge (promotor) Degree granting institution Delft University of Technology Corporate name Delft University of Technology Date 2019-09-04 Abstract In this thesis we presented comprehensive studies on methane activation by binuclear Fe-oxo sites located in porous MOF and zeolite frameworks. Many of such studies have been previously performed, however the main focus was usually on the C-H bond activation of methane. Here we focused on the whole reaction mechanism including the activation of the Fe site and the overoxidation of methanol, as well as the effects of the porous framework. Subject methane conversionzeoliteDFTmethane to methanol To reference this document use: https://doi.org/10.4233/uuid:ed0bee26-e6f7-45c0-a56d-1b3fdfbac1e2 ISBN 978-94-028-1630-3 Part of collection Institutional Repository Document type doctoral thesis Rights © 2019 A. Szécsényi Files PDF dissertation_szecsenyiagn ... round2.pdf 30.28 MB PDF propositions_szecsenyiagnes.pdf 142.28 KB Close viewer /islandora/object/uuid:ed0bee26-e6f7-45c0-a56d-1b3fdfbac1e2/datastream/OBJ1/view