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Understanding the Absorption of Fluorinated Gases in Fluorinated Ionic Liquids for Recovering Purposes Using Soft-SAFT

2022-08Artigo científico Acesso aberto
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dc.contributor.authorFerreira, Margarida L.
dc.contributor.authorAraújo, João M. M.
dc.contributor.authorVega, Lourdes F.
dc.contributor.authorPereiro, Ana B.
dc.contributor.institutionLAQV@REQUIMTE
dc.contributor.institutionDQ - Departamento de Química
dc.contributor.pblACS - American Chemical Society
dc.date.accessioned2022-05-13T22:35:24Z
dc.date.available2022-05-13T22:35:24Z
dc.date.issued2022-08
dc.description2020.00835.CEEIND 2021.01432.CEECIND RC2-2019-007
dc.description.abstractIt is proven that fluorinated gases (F-gases) have a vast impact on climate change due to their high global warming potential. Hence, it is imperative to search for new molecules to replace them in current applications, as well as technologies to capture, recover, and recycle F-gases to avoid their emissions to the atmosphere. One of the attractive technologies for this purpose is to absorb them in fluorinated ionic liquids (FILs), given their solubilization power. However, the complexity of FILs and the time-consuming experimental methodologies to fully characterize them hinder their prompt usage in this urgent field. In this work, the soft-Statistical Associating Fluid Theory (soft-SAFT) Equation of State is used as a tool to investigate the solubility of six different F-gases (R-32, R-125, R-134a, R-14, R-116, R-218) in five FILs ([C2C1Im][C4F9SO3], [C2C1Im][C4F9CO2], [C2C1py][C4F9SO3], [C2(C6F13)C1Im][N(CF3SO2)2], and [C2(C6F13)C1Im][N(C2F5SO2)2]). The robustness of the soft-SAFT approach allowed the establishment of new FIL models in a simple and fast way, and the calculation of F-gases solubility in them, in excellent agreement with existing experimental data. Once the models were assessed, a systematic study was performed regarding the structural features of FILs favoring their performance to absorb F-gases by using the soft-SAFT approach as a screening tool. It has been obtained that the solubility is favored by the presence of a perfluoroalkyl chain in the imidazolium cation, together with a bulkier anion. In all cases, [C2(C6F13)C1Im][N(C2F5SO2)2] shows a superior solubility of F-gases than the [C2(C6F13)C1Im][N(CF3SO2)2], also indicating that the addition of one carbon to the two anionic symmetric fluorinated chains contributes to the gas-philicity of the FILs. This work proves the relevance of using the soft-SAFT framework to obtain insights into the behavior of such complex systems and key trends, even when experimental data are scarce, as a step forward in assessing systems for separating and recovering F-gases.en
dc.description.versionpublishersversion
dc.description.versionpublished
dc.format.extent2545135
dc.identifier.doi10.1021/acs.jced.1c00984
dc.identifier.issn0021-9568
dc.identifier.otherPURE: 43645558
dc.identifier.otherPURE UUID: 2cadd1d6-f234-42c9-b7aa-fd28afa656b4
dc.identifier.otherScopus: 85128505479
dc.identifier.otherORCID: /0000-0002-8648-7539/work/121343809
dc.identifier.otherWOS: 00826371700001
dc.identifier.urihttp://hdl.handle.net/10362/137899
dc.identifier.urlhttps://www.scopus.com/pages/publications/85128505479
dc.language.isoeng
dc.peerreviewedyes
dc.relationinfo:eu-repo/grantAgreement/FCT/OE/SFRH%2FBD%2F130965%2F2017/PT
dc.relationExploiting the Potential of Surface Active Ionic Liquids: Fluorinated Ionic Liquids Meet Biomolecules
dc.relationExploiting the Potential of Surface Active Ionic Liquids: Fluorinated Ionic Liquids Meet Biomolecules
dc.relationNot Available
dc.relationAssociated Laboratory for Green Chemistry - Clean Technologies and Processes
dc.relationinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50006%2F2020/PT
dc.subjectGeneral Chemistry
dc.subjectGeneral Chemical Engineering
dc.subjectSDG 13 - Climate Action
dc.titleUnderstanding the Absorption of Fluorinated Gases in Fluorinated Ionic Liquids for Recovering Purposes Using Soft-SAFTen
dc.typejournal article
degois.publication.titleJournal of Chemical and Engineering Data
dspace.entity.typePublication
oaire.awardNumberSFRH/BD/130965/2017
oaire.awardNumberCOVID/BD/151919/2021
oaire.awardNumberdl 57/2016/CP1364/CT0010
oaire.awardNumberUIDB/50006/2020
oaire.awardTitleExploiting the Potential of Surface Active Ionic Liquids: Fluorinated Ionic Liquids Meet Biomolecules
oaire.awardTitleExploiting the Potential of Surface Active Ionic Liquids: Fluorinated Ionic Liquids Meet Biomolecules
oaire.awardTitleNot Available
oaire.awardTitleAssociated Laboratory for Green Chemistry - Clean Technologies and Processes
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F130965%2F2017/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//COVID%2FBD%2F151919%2F2021/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/DL 57%2F2016/dl 57%2F2016%2FCP1364%2FCT0010/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50006%2F2020/PT
oaire.fundingStreamDL 57/2016
oaire.fundingStream6817 - DCRRNI ID
project.funder.identifierhttp://doi.org/10.13039/501100001871
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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.rightsopenAccess
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