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Interplay of the adsorption of light and heavy paraffins in hydroisomerization over H-beta zeolite

2019-10Journal article Restricted access
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dc.contributor.authorMendes, Pedro S. F.
dc.contributor.authorChizallet, Céline
dc.contributor.authorPérez-Pellitero, Javier
dc.contributor.authorRaybaud, Pascal
dc.contributor.authorSilva, João
dc.contributor.authorRibeiro, M Filipa
dc.contributor.authorDaudin, Antoine
dc.contributor.authorBouchy, Christophe
dc.date.accessioned2020-04-22T17:14:29Z
dc.date.available2020-04-22T17:14:29Z
dc.date.issued2019-10
dc.description.abstractThe effect of pressure on the activity and selectivity of well-balanced Pt/H-beta zeolite bifunctional catalysts in n-hexadecane (n-C16) hydroisomerization was studied. The turnover frequency per Brønsted acid site of the catalyst decreased when the total pressure was increased due to the lower concentration of olefins at equilibrium, in line with the classical bifunctional mechanism. Conversely, when the total pressure was increased, the C16 isomer yield unexpectedly decreased in contradiction with the pure kinetic/ thermodynamic effect of olefin pressure on the reaction rates. Thanks to grand canonical Monte Carlo (GCMC) calculations, non-idealities in adsorption behavior in the zeolite micropores were revealed when a representative reaction medium was considered. Via mechanistic kinetic simulations combined with GCMC simulations for the relevant intermediate concentrations, the pressure effect on catalyst selectivity is proposed to be due to the interplay between the (light) cracked products and the (heavy) hexadecanes in the pores of beta zeolite which leads to a pressure dependency on the adsorption behavior.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationMENDES, Pedro S. F.; [et al] – Interplay of the adsorption of light and heavy paraffins in hydroisomerization over H-beta zeolite. Catalysis Science Technology. ISSN 2044-4753. Vol. 9, N.º 19 (2019), pp. 5368-5382pt_PT
dc.identifier.doi10.1039/c9cy00788apt_PT
dc.identifier.issn2044-4753
dc.identifier.issn2044-4761
dc.identifier.urihttp://hdl.handle.net/10400.21/11496
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherRoyal Society of Chemistrypt_PT
dc.relationSYNERGIES BETWEEN ZEOLITES ON A MODEL HYDROCRACKING REACTION, FROM IDEALITY TO REALITY
dc.subjectBrønsted acidpt_PT
dc.subjectCatalyst decreasedpt_PT
dc.subjectOlefins at equilibriumpt_PT
dc.subjectClassical bifunctional mechanismpt_PT
dc.subjectC16 isomer yieldpt_PT
dc.subjectKinetic/thermodynamicpt_PT
dc.titleInterplay of the adsorption of light and heavy paraffins in hydroisomerization over H-beta zeolitept_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleSYNERGIES BETWEEN ZEOLITES ON A MODEL HYDROCRACKING REACTION, FROM IDEALITY TO REALITY
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/UID%2FQUI%2F00100%2F2013/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F87927%2F2012/PT
oaire.citation.endPage5382pt_PT
oaire.citation.issue19pt_PT
oaire.citation.startPage5368pt_PT
oaire.citation.titleCatalysis Science and Technologypt_PT
oaire.citation.volume9pt_PT
oaire.fundingStream5876
person.familyNameFreitas Mendes
person.familyNameChizallet
person.familyNameRaybaud
person.familyNameSilva
person.familyNameRibeiro
person.familyNameDaudin
person.givenNamePedro Simão
person.givenNameCéline
person.givenNamePascal
person.givenNameJoão Miguel Alves da
person.givenNameM Filipa
person.givenNameAntoine
person.identifierfWmw7kEAAAAJ
person.identifier.ciencia-id2818-5E65-1249
person.identifier.ciencia-id3D1F-BD3A-4A9D
person.identifier.ciencia-idC810-17B5-EC05
person.identifier.orcid0000-0002-2768-353X
person.identifier.orcid0000-0001-5140-8397
person.identifier.orcid0000-0003-4506-5062
person.identifier.orcid0000-0003-1244-6483
person.identifier.orcid0000-0001-9538-821X
person.identifier.orcid0000-0003-3789-5277
person.identifier.ridS-4781-2016
person.identifier.ridN-1312-2014
person.identifier.ridF-8581-2013
person.identifier.ridF-8581-2018
person.identifier.scopus-author-id56585480300
person.identifier.scopus-author-id8987011000
person.identifier.scopus-author-id7003955792
person.identifier.scopus-author-id16317291000
person.identifier.scopus-author-id57191514529
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.rightsclosedAccesspt_PT
rcaap.typearticlept_PT
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