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dc.contributor.authorVollmer, Ina
dc.contributor.authorOuld-Chikh, Samy
dc.contributor.authorAguilar-Tapia, Antonio
dc.contributor.authorLi, Guanna
dc.contributor.authorPidko, Evgeny A.
dc.contributor.authorHazemann, Jean-Louis
dc.contributor.authorKapteijn, Freek
dc.contributor.authorGascon, Jorge
dc.date.accessioned2019-11-14T13:40:40Z
dc.date.available2019-11-14T13:40:40Z
dc.date.issued2019-11-04
dc.identifier.citationVollmer, I., Ould-Chikh, S., Aguilar-Tapia, A., Li, G., Pidko, E., Hazemann, J.-L., … Gascon, J. (2019). Activity Descriptors Derived from Comparison of Mo and Fe as Active Metal for Methane Conversion to Aromatics. Journal of the American Chemical Society. doi:10.1021/jacs.9b09710
dc.identifier.doi10.1021/jacs.9b09710
dc.identifier.urihttp://hdl.handle.net/10754/660021
dc.description.abstractProducing aromatics directly from the smallest hydrocarbon building block, methane, is attractive because it could help satisfy increasing demand for aromatics while filling the gap created by decreased production from naphtha crackers. The system that catalyzes the direct methane dehydroaromatization (MDA) best so far is Mo supported on zeolite. Mo has shown to outperform other transition metals (TMs). Here we attempt to explain the superiority of Mo by directly comparing Fe and Mo supported on HZSM-5 zeolite. To determine the most important parameters responsible for the superior performance of Mo, detailed characterization using X-ray absorption spectroscopy (XAS) techniques combined with catalytic testing and theoretical calculations are performed. The higher abundance of mono- and dimeric sites for the Mo system, their ease of carburization in methane, as well as intrinsically lower activation energy barriers of breaking the methane C–H bond over Mo explain the better catalytic performance. In addition, a pretreatment in CO is presented to more easily carburize Fe and thereby improve its catalytic performance.
dc.description.sponsorshipFinancial support from the SABIC-NWO CATC1CHEM CHIPP project (Grant no. 501100003246) is gratefully acknowledged. Thanks to Dr. Christoph Dittrich (SABIC), Dr. Frank Mostert (SABIC), and Dr. T. Alexander Nijhuis (SABIC) for helpful discussion. Dr. Marí a JoséValero-Romero (Universidad de Malaga) is also acknowledged for helpful discussion. NWO surfsara is acknowledged for providing access to the supercomputer facilities. Guanna Li acknowledges financial support from the NWO veni grant (no.016.Veni.172.034)
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttps://pubs.acs.org/doi/10.1021/jacs.9b09710
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of the American Chemical Society, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/jacs.9b09710.
dc.titleActivity Descriptors Derived from Comparison of Mo and Fe as Active Metal for Methane Conversion to Aromatics
dc.typeArticle
dc.contributor.departmentChemical Engineering Program
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalJournal of the American Chemical Society
dc.rights.embargodate2020-11-04
dc.eprint.versionPost-print
dc.contributor.institutionCatalysis Engineering, Department Chemical Engineering, Delft University of Technology, Delft 2629 HZ, The Netherlands
dc.contributor.institutionInstitut Neel, UPR 2940 CNRS − Université Grenoble Alpes, F-38000 Grenoble, France
dc.contributor.institutionInorganic Systems Engineering, Department Chemical Engineering, Delft University of Technology, Delft 2629 HZ, The Netherlands
kaust.personOuld-Chikh, Samy
kaust.personGascon, Jorge


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