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Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites

2017-06Journal article Restricted access
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dc.contributor.authorAleixo, Rodrigo
dc.contributor.authorElvas Leitao, Ruben
dc.contributor.authorMartins, Filomena
dc.contributor.authorCarvalho, Ana
dc.contributor.authorBrigas, Amadeu
dc.contributor.authorMartins, Angela
dc.contributor.authorNunes, Nelson
dc.date.accessioned2017-11-29T10:28:51Z
dc.date.available2017-11-29T10:28:51Z
dc.date.issued2017-06
dc.description.abstractFriedel-Crafts acylation was studied under mild conditions using hierarchical MCM-22 zeolites prepared by desilication and by desilication + acid treatment, using furan, pyrrole and anisole as substrates, and acetic anhydride as acylating agent. Enhanced catalysis was observed for furan and anisole, especially at short reaction times. Kinetic results modelling using non-linear regressions applied to a simplified Langmuir-Hinshelwood equation showed that desilication treatment followed by acid treatment improved kinetics (higher k and TOF). A QSPR methodology using nine substrate and zeolite descriptors was applied to model kinetics and adsorption. For both processes, the best QSPR model equations lead to the same descriptors, namely, Bronsted acidity, as zeolite's feature, and both van der Waals volume and Dimroth-Reichardt E-T(N) parameter (related to dipolarity and Lewis acidity) as substrates' characteristics. Normalization of descriptors allowed quantification of each descriptor's relative importance leading to a better understanding of the catalytic and adsorption processes.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationALEIXO, Rodrigo [et al] - Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites. Molecular Catalysis. ISSN: 2468-8231. Vol. 434 (2017), pp. 175-183pt_PT
dc.identifier.doi10.1016/j.mcat.2017.03.007pt_PT
dc.identifier.issn2468-8231
dc.identifier.urihttp://hdl.handle.net/10400.21/7611
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevier Sciencept_PT
dc.relationPEST UID/MULTI/00612/2013pt_PT
dc.relation.publisherversionhttps://ac.els-cdn.com/S2468823117301517/1-s2.0-S2468823117301517-main.pdf?_tid=d099339e-d438-11e7-b695-00000aab0f6b&acdnat=1511872804_16a4caab837b0df0f57113cfc6515f15pt_PT
dc.subjectHierarchical MCM-22pt_PT
dc.subjectFriedel-Crafts acylation reactionspt_PT
dc.subjectKinetic modellingpt_PT
dc.subjectNon-linear regressionspt_PT
dc.subjectQSPR methodologypt_PT
dc.titleKinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolitespt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage175pt_PT
oaire.citation.issue183pt_PT
oaire.citation.titleJournal of Molecular Catalysis A: Chemicalpt_PT
oaire.citation.volume434pt_PT
person.familyNameElvas Leitao
person.familyNamemartins
person.familyNameCarvalho
person.familyNameMartins
person.familyNameNunes
person.givenNameRuben
person.givenNamefilomena
person.givenNameAna
person.givenNameAngela
person.givenNameNelson
person.identifier1344292
person.identifier.ciencia-idF41B-8A26-88D4
person.identifier.ciencia-id7F12-A33A-EBAB
person.identifier.ciencia-id8011-6264-7957
person.identifier.ciencia-id781F-79D3-9070
person.identifier.ciencia-id1B16-7872-5A09
person.identifier.orcid0000-0002-2196-412X
person.identifier.orcid0000-0003-4189-1228
person.identifier.orcid0000-0002-3144-2800
person.identifier.orcid0000-0003-1637-478X
person.identifier.orcid0000-0003-4499-0379
person.identifier.ridD-2452-2009
person.identifier.ridE-6287-2012
person.identifier.ridB-1775-2012
person.identifier.ridA-8516-2012
person.identifier.scopus-author-id55667178200
person.identifier.scopus-author-id17342433200
person.identifier.scopus-author-id55611516400
person.identifier.scopus-author-id7203013509
person.identifier.scopus-author-id11540776800
rcaap.rightsclosedAccesspt_PT
rcaap.typearticlept_PT
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