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Separation of branched alkanes feeds by a synergistic action of zeolite and metal-organic framework

2022Journal article Open access
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dc.contributor.authorBrântuas, Pedro
dc.contributor.authorHenrique, Adriano
dc.contributor.authorWahiduzzaman, Mohammad
dc.contributor.authorWedelstedt, Alexander von
dc.contributor.authorMaity, Tanmoy
dc.contributor.authorRodrigues, Alírio
dc.contributor.authorNouar, Farid
dc.contributor.authorLee, U-Hwang
dc.contributor.authorCho, Kyung Ho
dc.contributor.authorSilva, José A.C.
dc.contributor.authorSerre, Christian
dc.contributor.authorMaurin, Guillaume
dc.date.accessioned2021-11-17T15:48:32Z
dc.date.available2021-11-17T15:48:32Z
dc.date.issued2022
dc.description.abstractZeolites and metal-organic frameworks (MOFs) are considered as “competitors” for new separation processes. The production of high-quality gasoline is currently achieved through the total isomerization process that separates pentane and hexane isomers while not reaching the ultimate goal of a research octane number (RON) higher than 92. This work demonstrates how a synergistic action of the zeolite 5A and the MIL-160(Al) MOF leads to a novel adsorptive process for octane upgrading of gasoline through an efficient separation of isomers. This innovative mixed-bed adsorbent strategy encompasses a thermodynamically driven separation of hexane isomers according to the degree of branching by MIL-160(Al) coupled to a steric rejection of linear isomers by the molecular sieve zeolite 5A. Their adsorptive separation ability is further evaluated under real conditions by sorption breakthrough and continuous cyclic experiments with a mixed bed of shaped adsorbents. Remarkably, at the industrially relevant temperature of 423 K, an ideal sorption hierarchy of low RON over high RON alkanes is achieved, i.e., n-hexane ≫n-pentane ≫2-methylpentane > 3-methylpentane⋙ 2,3-dimethylbutane > isopentane ≈ 2,2-dimethylbutane, together with a productivity of 1.14 mol dm−3 and a high RON of 92, which is a leap-forward compared with existing processes.pt_PT
dc.description.sponsorshipThe authors acknowledge Fundação para a Ciência e Tecnologia (FCT, Portugal) and ERDF under Programme PT2020 to 1) José A. C. Silva under Project ref. POCI01-0145-FEDER-016517 (PTDC/QEQPRS/ 3599/2014), 2) CIMO (UID/AGR/00690/2020), (3) LSRE-LCM (POCI-01-0145-FEDER006984), and (4) Adriano Henrique from the individual research grant SFRH/BD/148525/2019. The authors also acknowledge Ivan M. C. Pinto for the measurement of the single component isotherms shown in Figure S20 in the Supporting Information, Kristin Gleichmann and Chemiewerk Bad Koestritz GmbH for kindly providing the binder-free beads of zeolite 5A used in this work, Ben Slater from IMAP for the proofreading of the manuscript, and Dr. Jong San Chang from KRICT for his helpful discussions.The computational work was performed using HPC resources from GENCI-CINES (Grant A0100907613).pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationBrântuas, Pedro F.; Henrique, Adriano; Wahiduzzaman, Mohammad; Wedelstedt, Alexander von; Maity, Tanmoy; Rodrigues, Alírio; Nouar, Farid; Lee, U-Hwang; Cho, Kyung-Ho; Maurin, Guillaume; Silva, José A.C.; Serre, Christian (2022). Separation of branched alkanes feeds by a synergistic action of zeolite and metal-organic framework. Advanced Science. EISSN 2198-3844. 9:22, p. 1-8pt_PT
dc.identifier.doi10.1002/advs.202201494
dc.identifier.eissn2198-3844
dc.identifier.urihttp://hdl.handle.net/10198/24212
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.relationUID/AGR/00690/2020
dc.relationUpgrading of Total Isomerization Processes with Metal-Organic Frameworks
dc.relationUpgrading of Total Isomerization Processes with Metal Organic Frameworks
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt_PT
dc.subjectGasolinept_PT
dc.subjectMetal organic frameworks (MOFs)pt_PT
dc.subjectSeparationpt_PT
dc.subjectSimulationpt_PT
dc.subjectZeolitept_PT
dc.titleSeparation of branched alkanes feeds by a synergistic action of zeolite and metal-organic frameworkpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleUpgrading of Total Isomerization Processes with Metal-Organic Frameworks
oaire.awardTitleUpgrading of Total Isomerization Processes with Metal Organic Frameworks
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/9471 - RIDTI/PTDC%2FQEQ-PRS%2F3599%2F2014/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F148525%2F2019/PT
oaire.citation.startPage127677pt_PT
oaire.citation.titleAdvanced Sciencept_PT
oaire.citation.volume9pt_PT
oaire.fundingStream9471 - RIDTI
person.familyNameBrântuas
person.familyNameHenrique
person.familyNameSilva
person.givenNamePedro
person.givenNameAdriano
person.givenNameJosé A.C.
person.identifier.ciencia-id7019-9B98-EB05
person.identifier.ciencia-idDB18-4E7D-6696
person.identifier.ciencia-idC11B-F5CF-7C78
person.identifier.orcid0000-0002-6488-2001
person.identifier.orcid0000-0002-5227-9790
person.identifier.orcid0000-0003-1778-3833
person.identifier.scopus-author-id7403023684
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
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