Matches in UGent Biblio for { <https://biblio.ugent.be/publication/5712431#aggregation> ?p ?o. }
Showing items 1 to 35 of
35
with 100 items per page.
- aggregation classification "A1".
- aggregation creator person.
- aggregation creator person.
- aggregation creator person.
- aggregation creator person.
- aggregation date "2014".
- aggregation format "application/pdf".
- aggregation hasFormat 5712431.bibtex.
- aggregation hasFormat 5712431.csv.
- aggregation hasFormat 5712431.dc.
- aggregation hasFormat 5712431.didl.
- aggregation hasFormat 5712431.doc.
- aggregation hasFormat 5712431.json.
- aggregation hasFormat 5712431.mets.
- aggregation hasFormat 5712431.mods.
- aggregation hasFormat 5712431.rdf.
- aggregation hasFormat 5712431.ris.
- aggregation hasFormat 5712431.txt.
- aggregation hasFormat 5712431.xls.
- aggregation hasFormat 5712431.yaml.
- aggregation isPartOf urn:issn:1867-3880.
- aggregation language "eng".
- aggregation rights "I have transferred the copyright for this publication to the publisher".
- aggregation subject "Chemistry".
- aggregation title "Insight into the formation and reactivity of framework-bound methoxide species in H-ZSM-5 from static and dynamic molecular simulations".
- aggregation abstract "Framework-bound methoxides occur as intermediates in the stepwise mechanism for zeolite-catalyzed methylation reactions. Herein, the formation of methoxides from methanol or dimethyl ether in H-ZSM-5 is investigated by a combination of static and dynamic simulations, with particular focus on the effect of additional water and methanol molecules on the mechanism and kinetics. Metadynamics simulations allow partitioning the reaction path into distinct phases. Proton transfer from the zeolite to the reactants is found to be the rate-limiting phase in the methoxide formation. Additional methanol molecules only assist the proton transfer in the methoxide formation from methanol, whereas the reaction from dimethyl ether does not benefit from methanol assistance. Once formed, methoxides are found to be as reactive toward alkene methylation as methanol and dimethyl ether.".
- aggregation authorList BK1322984.
- aggregation endPage "1918".
- aggregation issue "7".
- aggregation startPage "1906".
- aggregation volume "6".
- aggregation aggregates 5712614.
- aggregation isDescribedBy 5712431.
- aggregation similarTo cctc.201402146.
- aggregation similarTo LU-5712431.