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Hexane isomers separation on an isoreticular series of microporous Zr carboxylate metal organic frameworks

2020Journal article Open access
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dc.contributor.authorHenrique, Adriano
dc.contributor.authorMaity, Tanmoy
dc.contributor.authorZhao, Hengli
dc.contributor.authorBrântuas, Pedro
dc.contributor.authorRodrigues, Alírio
dc.contributor.authorNouar, Farid
dc.contributor.authorGhoufi, Aziz
dc.contributor.authorMaurin, Guillaume
dc.contributor.authorSilva, José A.C.
dc.contributor.authorSerre, Christian
dc.date.accessioned2018-02-19T10:00:00Z
dc.date.accessioned2021-02-27T16:30:19Z
dc.date.available2018-01-19T10:00:00Z
dc.date.available2021-02-27T16:30:19Z
dc.date.issued2020
dc.description.abstractA series of isoreticular Zr carboxylate MOFs, MIL-140A, B and C, exhibiting 1D microporous triangular shaped channels and based on different aromatic dicarboxylate ligands (1,4-BDC, 2,6-NDC and 4,4′-BPDC, respectively), were investigated by chromatographic breakthrough experiments regarding their ability to separate hexane isomers (nC6/2MP/3MP/23DMB/22DMB). Both single and equimolar multicomponent experiments were performed at the temperatures 343, 373, and 423 K and a total hydrocarbon pressure up to 50.0 kPa using the MIL-140B form. The elution order is similar to that of the normal boiling point of the compounds nC6 > 2MP > 3MP > 23DMB > 22DMB. It is noteworthy that this material enables separation of the hexane isomers by class, linear > mono-branched > di-branched, with a selectivity (linear + mono-branched isomers/di-branched isomers) up to 10 at 343 K, decreasing, however, as the temperature increases. Grand canonical Monte Carlo simulations were further performed to gain insight into the adsorption/separation mechanisms, highlighting the crucial need to consider a tiny tilting of the organic linkers for capturing the experimental observations. The impact of the pore size was finally assessed through the comparison with MIL-140A and MIL-140C, respectively, based on multicomponent experiments at 343 K. We evidenced a significant decrease of the selectivity (about 2) in both cases while the loadings were decreased or increased for MIL-140A and MIL-140C, respectively. Additionally, MIL-140C was demonstrated to exhibit an uncommon shift in the elution order occurring between nC6 and 3MP, 3MP being the last compound to saturate in the column.en_EN
dc.description.sponsorshipWe acknowledge the nancial support from (1) the project with ref POCI01-0145-FEDER-016517 (PTDC/QEQ-PRS/3599/2014) funded by the FEDER through COMPETE2020 and the FCT; (2) the project POCI-01-0145-FEDER006984-Associate Laboratory LSRE-LCM funded by the ERDF through COMPETE2020, Programa Operacional Competitividade e Internacionalizaç˜ao (POCI), and national funds through the FCT – Fundaç˜ao para a Ciˆencia e a Tecnologia; (3) the Foundation for Science and Technology (FCT, Portugal) and the ERDF under Programme PT2020 to the CIMO (UID/AGR/00690/2019); (4) the FCT PhD scholarship to Adriano Henrique (SFRH/BD/148525/2019); and (5) the ANR ProjectMEACOPA (H. Z., A. G., G.M., C. S., and F. N.).
dc.description.versioninfo:eu-repo/semantics/publishedVersionen_EN
dc.identifier.citationHenrique, Adriano; Maity, Tanmoy; Zhao, Hengli; Brântuas, Pedro F.; Rodrigues, Alírio E.; Nouar, Farid; Ghoufi, Aziz; Maurin, Guillaume; Silva, José A.C.; Serre, Christian (2020). Hexane isomers separation on an isoreticular series of microporous Zr carboxylate metal organic frameworks. Journal of Materials Chemistry A. ISSN 2050-7488. 8:34, p. 17780-17789en_EN
dc.identifier.doi10.1039/d0ta05538gen_EN
dc.identifier.issn20507488
dc.identifier.urihttp://hdl.handle.net/10198/23381
dc.language.isoeng
dc.peerreviewedyesen_EN
dc.relationUpgrading of Total Isomerization Processes with Metal Organic Frameworks
dc.titleHexane isomers separation on an isoreticular series of microporous Zr carboxylate metal organic frameworksen_EN
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleUpgrading of Total Isomerization Processes with Metal Organic Frameworks
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F148525%2F2019/PT
person.familyNameHenrique
person.familyNameBrântuas
person.familyNameSilva
person.givenNameAdriano
person.givenNamePedro
person.givenNameJosé A.C.
person.identifier.ciencia-idDB18-4E7D-6696
person.identifier.ciencia-id7019-9B98-EB05
person.identifier.ciencia-idC11B-F5CF-7C78
person.identifier.orcid0000-0002-5227-9790
person.identifier.orcid0000-0002-6488-2001
person.identifier.orcid0000-0003-1778-3833
person.identifier.scopus-author-id7403023684
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccessen_EN
rcaap.typearticleen_EN
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relation.isAuthorOfPublication8db5a58b-6e02-4409-9382-218db7fdd233
relation.isAuthorOfPublication16366ede-a7d6-45ff-a8c9-eff9bdde35c7
relation.isAuthorOfPublication.latestForDiscovery16366ede-a7d6-45ff-a8c9-eff9bdde35c7
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relation.isProjectOfPublication.latestForDiscoveryabd95491-04f8-46f9-9eed-7b7a3d151e4a

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