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Exploring the effect of hierarchical porosity in BEA zeolite in Friedel-Crafts acylation of furan and benzofuran

2022-09-17Journal article Open access
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dc.contributor.authorNunes, Nelson
dc.contributor.authorCarvalho, Ana P.
dc.contributor.authorElvas Leitao, Ruben
dc.contributor.authorMartins, Filomena
dc.contributor.authorFernandes, Auguste
dc.contributor.authorRocha, João
dc.contributor.authorMartins, Angela
dc.date.accessioned2023-05-08T08:30:06Z
dc.date.available2023-05-08T08:30:06Z
dc.date.issued2022-09-17
dc.description.abstractHierarchical BEA zeolite was prepared through desilication or desilication followed by acid treatment. The catalytic performance of BEA zeolite samples was evaluated using Friedel-Crafts acylations with two substrates of different molecular sizes, furan (5.7 Å) and benzofuran (6.9 Å), in the presence of acetic anhydride as acylating agent. The application of the simplified Langmuir Hinshelwood kinetic model showed that the size of the substrate leads to different catalytic activities, with improved rate constant and turnover frequency (TOF) solely in the presence of benzofuran for both desilicated and further acid treated samples. The mesopores developed during the zeolite treatments have an important role as transportation channels by reducing diffusion limitations. The application of Quantitative Structure–Property Relationships (QSPR) allowed the finding of the most relevant properties of the zeolite and substrate with impact on the catalytic parameters.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationNUNES, Nelson; [et al] – Exploring the effect of hierarchical porosity in BEA zeolite in Friedel-Crafts acylation of furan and benzofuran. Catalysts. ISSN 2073-4344. Vol. 12, N.º 9 (2022), pp. 1-13.pt_PT
dc.identifier.doi10.3390/catal12091064pt_PT
dc.identifier.eissn2073-4344
dc.identifier.urihttp://hdl.handle.net/10400.21/15986
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherMDPIpt_PT
dc.relationLA/P/0056/2020 - FCTpt_PT
dc.relationCentro de Química Estrutural
dc.relationCentro de Química Estrutural
dc.relation.publisherversionhttps://www.mdpi.com/2073-4344/12/9/1064pt_PT
dc.subjectHierarchical BEApt_PT
dc.subjectFriedel-Crafts acylationpt_PT
dc.subjectFuranpt_PT
dc.subjectBenzofuranpt_PT
dc.subjectKinetic modellingpt_PT
dc.subjectQSPR analysispt_PT
dc.titleExploring the effect of hierarchical porosity in BEA zeolite in Friedel-Crafts acylation of furan and benzofuranpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleCentro de Química Estrutural
oaire.awardTitleCentro de Química Estrutural
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00100%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F00100%2F2020/PT
oaire.citation.endPage13pt_PT
oaire.citation.issue9pt_PT
oaire.citation.startPage1pt_PT
oaire.citation.titleCatalystspt_PT
oaire.citation.volume12pt_PT
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
person.familyNameNunes
person.familyNameElvas Leitao
person.familyNameMartins
person.givenNameNelson
person.givenNameRuben
person.givenNameAngela
person.identifier1344292
person.identifier.ciencia-id1B16-7872-5A09
person.identifier.ciencia-idF41B-8A26-88D4
person.identifier.ciencia-id781F-79D3-9070
person.identifier.orcid0000-0003-4499-0379
person.identifier.orcid0000-0002-2196-412X
person.identifier.orcid0000-0003-1637-478X
person.identifier.ridA-8516-2012
person.identifier.ridD-2452-2009
person.identifier.ridB-1775-2012
person.identifier.scopus-author-id11540776800
person.identifier.scopus-author-id55667178200
person.identifier.scopus-author-id7203013509
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
relation.isAuthorOfPublication3541747c-0373-4a73-b1f3-77095e675385
relation.isAuthorOfPublication440b7129-d4d9-4225-a936-ca694c0984b6
relation.isAuthorOfPublication61c012c2-e555-4d7e-8fad-27b1facc34ca
relation.isAuthorOfPublication.latestForDiscovery61c012c2-e555-4d7e-8fad-27b1facc34ca
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