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Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8

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dc.contributor.authorHenrique, Adriano
dc.contributor.authorRodrigues, Alírio
dc.contributor.authorSilva, José A.C.
dc.date.accessioned2020-03-03T11:24:20Z
dc.date.available2020-03-03T11:24:20Z
dc.date.issued2020
dc.description.abstractSingle, quinary and septenary fixed bed breakthrough experiments of pentane (nC5/iC5) and hexane (nC6/2MP/3MP/23DMB/22DMB) isomers were performed in shaped zeolitic imidazolate metal organic framework ZIF-8. Adsorption equilibrium isotherms for linear nC5 and nC6 were measured from the single component breakthrough curves covering the temperature range between 373 and 473 K and partial pressures up to 50 kPa. The equimolar septenary (nC5/iC5/nC6/2MP/3MP/23DMB/22DMB) and quinary (iC5/2MP/3MP/23DMB/22DMB) studies were performed at the same temperature range and total hydrocarbon pressure of 25 kPa. In the septenary experiments the following sorption hierarchy was observed: nC6 > nC5 > 2MP > 3MP > iC5 > 23DMB > 22DMB. Results also show that the sorption of the linear nC5 and nC6 is dominated by equilibrium in contrast with the sorption of branched isomers which is kinetically controlled. The quinary experiments with C5/C6 branched paraffins evidences the partially separation by classes of mono- and di-branched isomers. The equilibrium data were modelled by the Sips isotherm and the fitted parameters were used to simulate the breakthrough data through a mathematical model developed in a Matlab code using the method of lines (MOL). In the numerical simulations equal diffusivities constants (Dc/rc2) for linear nC5/nC6 were used, being it 0.002 s−1 at 373 K, which is a value 100 times higher than its respective value for the mono-branched isomers iC5, 2MP and 3MP, and 300 times higher than for the di-branched hexane isomer 22DMB. It is also shown the effect of the residence time of the gas regarding the fixed bed separation of the pentane and hexane isomers, from where it is clear that increasing the residence time improves the separation between the compounds.pt_PT
dc.description.sponsorshipWe acknowledge financial support from (1) Project ref POCI01-0145-FEDER-016517 ( PTDC/QEQ-PRS/3599/2014 ) funded by FEDER through COMPETE2020 and FCT; (2) AIProcMat@N2020-Advanced Industrial Processes and Materials for a Sustainable Northern Region of Portugal 2020, with the reference NORTE-01-0145-FEDER-000006, supported by Norte Portugal Regional Operational Programme ( NORTE 2020 ), under the Portugal 2020 Partnership Agreement, through the European Regional Development Fund (ERDF), and (3) by Project POCI-01-0145-FEDER006984-Associate Laboratory LSRE-LCM funded by ERDF through COMPETE2020, Programa Operacional Competitividade e Internacionalização (POCI), and by national funds through FCT - Fundação para a Ciência e a Tecnologia .
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationHenrique, Adriano; Rodrigues, A.E.; Silva, José A.C. (2020). Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8. Separation and Purification Technology. Elsevier. ISSN 1383-5866. 238, p. 1-12pt_PT
dc.identifier.doi10.1016/j.seppur.2019.116419pt_PT
dc.identifier.issn1383-5866
dc.identifier.urihttp://hdl.handle.net/10198/20798
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.relationUpgrading of Total Isomerization Processes with Metal-Organic Frameworks
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt_PT
dc.subjectPentane/hexane isomerspt_PT
dc.subjectMOF ZIF-8pt_PT
dc.subjectFixed bed adsorptionpt_PT
dc.subjectBreakthrough curvespt_PT
dc.subjectNumerical modellingpt_PT
dc.titleFixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8pt_PT
dc.typejournal article
dspace.entity.typePublication
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.citation.titleSeparation and Purification Technologypt_PT
oaire.fundingStream9471 - RIDTI
person.familyNameHenrique
person.familyNameSilva
person.givenNameAdriano
person.givenNameJosé A.C.
person.identifier.ciencia-idDB18-4E7D-6696
person.identifier.ciencia-idC11B-F5CF-7C78
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.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
relation.isAuthorOfPublication8f18b8ea-087b-4626-b5f1-9b66b1aa993f
relation.isAuthorOfPublication16366ede-a7d6-45ff-a8c9-eff9bdde35c7
relation.isAuthorOfPublication.latestForDiscovery8f18b8ea-087b-4626-b5f1-9b66b1aa993f
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relation.isProjectOfPublication.latestForDiscovery9beeeaab-2d9e-402c-8c73-f4a8e51d30c6

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