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A microporous multi‐cage metal–organic framework for an effective one‐step separation of branched alkanes feeds

2024Journal article Open access
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dc.contributor.authorZhou, Lin
dc.contributor.authorBrântuas, Pedro
dc.contributor.authorHenrique, Adriano
dc.contributor.authorReinsch, Helge
dc.contributor.authorWahiduzzaman, Mohammad
dc.contributor.authorGrenèche, Jean‐Marc
dc.contributor.authorRodrigues, Alírio
dc.contributor.authorSilva, José A.C.
dc.contributor.authorMaurin, Guillaume
dc.contributor.authorSerre, Christian
dc.date.accessioned2024-05-14T09:48:19Z
dc.date.available2024-05-14T09:48:19Z
dc.date.issued2024
dc.description.abstractThe improvement of the Total Isomerization Process (TIP) for the production of high-quality gasoline with the ultimate goal of reaching a Research Octane Number (RON) higher than 92 requires the use of specific sorbents to separate pentane and hexane isomers into classes of linear, mono- and di-branched isomers. Herein we report the design of a new multi-cage microporous Fe(III)-MOF (referred to as MIP-214, MIP stands for materials of the Institute of Porous Materials of Paris) with a flu-e topology, incorporating an asymmetric heterofunctional ditopic ligand, 4-pyrazolecarboxylic acid, that exhibits an appropriate microporous structure for a thermodynamic-controlled separation of hydrocarbon isomers. This MOF produced via a direct, scalable, and mild synthesis route was proven to encompass a unique separation of C5/C6 isomers by classes of low RON over high RON alkanes with a sorption hierarchy: (n-hexane >> n-pentane approximate to 2-methylpentane>3-methylpentane)(low RON)>>(2,3-dimethylbutane approximate to i-pentane approximate to 2,2-dimethylbutane)(high RON) following the adsorption enthalpy sequence. We reveal for the first time that a single sorbent can efficiently separate such a complex mixture of high RON di-branched hexane and mono-branched pentane isomers from their low RON counterparts, which is a major achievement reported so far.pt_PT
dc.description.sponsorshipL. Zhou acknowledges the support of the National Natural Science Foundation of China (22108246), “Pionner, Leading Goose + X” R&D Program of Zhejiang (2024SSYS0067) and the CSC scholarship (201707090054). Foundation for Science and Technology (FCT, Portugal) and ERDF under Programme PT2020 to: (1) Project ref: POCI01-0145-FED- ER-016517 (PTDC/QEQ-PRS/3599/2014), (2) FCT/MCTES (PIDDAC) for financial support through national funds FCT/MCTES (PIDDAC) to CIMO (UIDB/00690/2020 and UIDP/00690/2020) and SusTEC (LA/P/0007/2020), (3) LSRE-LCM (POCI-01-0145-FEDER006984) and (4) Adria- no Henrique from the individual research grant SFRH/BD/148525/2019. The simulation in this work was performed using HPC resources from GENCI-CINES (Grant A0140907613).pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationZhou, Lin; Brântuas, Pedro; Henrique, Adriano; Reinsch, Helge; Wahiduzzaman, Mohammad; Grenèche, Jean‐Marc; Rodrigues, Alírio E.; Silva, José A.C.; Maurin, Guillaume; Serre, Christian (2024). A microporous multi‐cage metal–organic framework for an effective one‐step separation of branched alkanes feeds. Angewandte Chemie-International Edition. ISSN 1433-7851. 63:15, p. 1-8pt_PT
dc.identifier.doi10.1002/anie.202320008pt_PT
dc.identifier.eissn1521-3773
dc.identifier.issn1433-7851
dc.identifier.urihttp://hdl.handle.net/10198/29765
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherWileypt_PT
dc.relationUpgrading of Total Isomerization Processes with Metal-Organic Frameworks
dc.relationMountain Research Center
dc.relationMountain Research Center
dc.relationAssociate Laboratory for Sustainability and Tecnology in Mountain Regions
dc.relationUpgrading of Total Isomerization Processes with Metal Organic Frameworks
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt_PT
dc.subjectUltra-microporous metal-organic frameworkpt_PT
dc.subjectIsoreticular chemistrypt_PT
dc.subjectPentane and hexane alkane isomers separationpt_PT
dc.subjectOctane upgrading of gasolinept_PT
dc.titleA microporous multi‐cage metal–organic framework for an effective one‐step separation of branched alkanes feedspt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleUpgrading of Total Isomerization Processes with Metal-Organic Frameworks
oaire.awardTitleMountain Research Center
oaire.awardTitleMountain Research Center
oaire.awardTitleAssociate Laboratory for Sustainability and Tecnology in Mountain Regions
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/6817 - DCRRNI ID/UIDB%2F00690%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F00690%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0007%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F148525%2F2019/PT
oaire.citation.endPage8pt_PT
oaire.citation.issue15pt_PT
oaire.citation.startPage1pt_PT
oaire.citation.titleAngewandte Chemie-International Editionpt_PT
oaire.citation.volume63pt_PT
oaire.fundingStream9471 - RIDTI
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
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
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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
project.funder.nameFundação para a Ciência e a Tecnologia
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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