Screening of ionic liquids and deep eutectic solvents for physical CO2 absorption by soft-SAFT using key performance indicators

The efficient screening of solvents for CO2 capture requires a reliable and robust equation of state to characterize and compare their thermophysical behavior for the desired application. In this work, the potentiality of 14 ionic liquids (ILs) and 7 deep eutectic solvents (DESs) for CO2 capture was...

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Autores: Llovell Ferret, Félix Lluís, Alkhatib, Ismail I.I., Ferreira, Margarida L., Albà, Carlos G., Bahamon, Daniel, Pereiro, Ana B., Araújo, João M.M., Abu-Zahra, Mohammad R.M., Vega, Lourdes F.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2020
País:España
Institución:Universitat Ramon Llull (URL)
Repositorio:DAU Arxiu Digital de la Universitat Ramon Llull
OAI Identifier:oai:dau.url.edu:20.500.14342/1025
Acceso en línea:http://hdl.handle.net/20.500.14342/1025
https://doi.org/10.1021/acs.jced.0c00750
Access Level:acceso abierto
Palabra clave:Sals
Dissolvents
Absorció
Viscositat
Salts
Molecular modeling
Absorption
Solvents
Viscosity
54
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spelling Screening of ionic liquids and deep eutectic solvents for physical CO2 absorption by soft-SAFT using key performance indicatorsLlovell Ferret, Félix LluísAlkhatib, Ismail I.I.Ferreira, Margarida L.Albà, Carlos G.Bahamon, DanielPereiro, Ana B.Araújo, João M.M.Abu-Zahra, Mohammad R.M.Vega, Lourdes F.SalsDissolventsAbsorcióViscositatSaltsMolecular modelingAbsorptionSolventsViscosity54The efficient screening of solvents for CO2 capture requires a reliable and robust equation of state to characterize and compare their thermophysical behavior for the desired application. In this work, the potentiality of 14 ionic liquids (ILs) and 7 deep eutectic solvents (DESs) for CO2 capture was examined using soft-SAFT as a modeling tool for the screening of these solvents based on key process indicators, namely, cyclic working capacity, enthalpy of desorption, and CO2 diffusion coefficient. Once the models were assessed versus experimental data, soft-SAFT was used as a predictive tool to calculate the thermophysical properties needed for evaluating their performance. Results demonstrate that under the same operating conditions, ILs have a far superior performance than DESs primarily in terms of amount of CO2 captured, being at least two-folds more than that captured using DESs. The screening tool revealed that among all the examined solvents and conditions, [C4 py][NTf2] is the most promising solvent for physical CO2 capture. The collection of the acquired results confirms the reliability of the soft-SAFT EoS as an attractive and valuable screening tool for CO2 capture and process modeling.American Chemical SocietyUniversitat Ramon Llull. IQS20222023202220232020info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersion18 p.application/pdfhttp://hdl.handle.net/20.500.14342/1025https://doi.org/10.1021/acs.jced.0c00750RECERCAT (Dipòsit de la Recerca de Catalunya)reponame:DAU Arxiu Digital de la Universitat Ramon Llullinstname:Universitat Ramon Llull (URL)InglésJournal of Chemical and Engineering Data. Vol. 65, n.12 (2020), p.5844-5861info:eu-repo/grantAgreement/Khalifa University of Science and Technology/Project RC2-2019-007/info:eu-repo/grantAgreement/MCI/PN I+D/PID2019-108014RB-C21info:eu-repo/grantAgreement/FCT-MCTES/Grant SFRH/BDinfo:eu-repo/grantAgreement/LAQV/UID/QUIAttribution 4.0 International© American Chemical Society.http://creativecommons.org/licenses/by/4.0/info:eu-repo/semantics/openAccessoai:dau.url.edu:20.500.14342/10252026-06-21T06:40:37Z
dc.title.none.fl_str_mv Screening of ionic liquids and deep eutectic solvents for physical CO2 absorption by soft-SAFT using key performance indicators
title Screening of ionic liquids and deep eutectic solvents for physical CO2 absorption by soft-SAFT using key performance indicators
spellingShingle Screening of ionic liquids and deep eutectic solvents for physical CO2 absorption by soft-SAFT using key performance indicators
Llovell Ferret, Félix Lluís
Sals
Dissolvents
Absorció
Viscositat
Salts
Molecular modeling
Absorption
Solvents
Viscosity
54
title_short Screening of ionic liquids and deep eutectic solvents for physical CO2 absorption by soft-SAFT using key performance indicators
title_full Screening of ionic liquids and deep eutectic solvents for physical CO2 absorption by soft-SAFT using key performance indicators
title_fullStr Screening of ionic liquids and deep eutectic solvents for physical CO2 absorption by soft-SAFT using key performance indicators
title_full_unstemmed Screening of ionic liquids and deep eutectic solvents for physical CO2 absorption by soft-SAFT using key performance indicators
title_sort Screening of ionic liquids and deep eutectic solvents for physical CO2 absorption by soft-SAFT using key performance indicators
dc.creator.none.fl_str_mv Llovell Ferret, Félix Lluís
Alkhatib, Ismail I.I.
Ferreira, Margarida L.
Albà, Carlos G.
Bahamon, Daniel
Pereiro, Ana B.
Araújo, João M.M.
Abu-Zahra, Mohammad R.M.
Vega, Lourdes F.
author Llovell Ferret, Félix Lluís
author_facet Llovell Ferret, Félix Lluís
Alkhatib, Ismail I.I.
Ferreira, Margarida L.
Albà, Carlos G.
Bahamon, Daniel
Pereiro, Ana B.
Araújo, João M.M.
Abu-Zahra, Mohammad R.M.
Vega, Lourdes F.
author_role author
author2 Alkhatib, Ismail I.I.
Ferreira, Margarida L.
Albà, Carlos G.
Bahamon, Daniel
Pereiro, Ana B.
Araújo, João M.M.
Abu-Zahra, Mohammad R.M.
Vega, Lourdes F.
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universitat Ramon Llull. IQS
dc.subject.none.fl_str_mv Sals
Dissolvents
Absorció
Viscositat
Salts
Molecular modeling
Absorption
Solvents
Viscosity
54
topic Sals
Dissolvents
Absorció
Viscositat
Salts
Molecular modeling
Absorption
Solvents
Viscosity
54
description The efficient screening of solvents for CO2 capture requires a reliable and robust equation of state to characterize and compare their thermophysical behavior for the desired application. In this work, the potentiality of 14 ionic liquids (ILs) and 7 deep eutectic solvents (DESs) for CO2 capture was examined using soft-SAFT as a modeling tool for the screening of these solvents based on key process indicators, namely, cyclic working capacity, enthalpy of desorption, and CO2 diffusion coefficient. Once the models were assessed versus experimental data, soft-SAFT was used as a predictive tool to calculate the thermophysical properties needed for evaluating their performance. Results demonstrate that under the same operating conditions, ILs have a far superior performance than DESs primarily in terms of amount of CO2 captured, being at least two-folds more than that captured using DESs. The screening tool revealed that among all the examined solvents and conditions, [C4 py][NTf2] is the most promising solvent for physical CO2 capture. The collection of the acquired results confirms the reliability of the soft-SAFT EoS as an attractive and valuable screening tool for CO2 capture and process modeling.
publishDate 2020
dc.date.none.fl_str_mv 2020
2022
2022
2023
2023
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/20.500.14342/1025
https://doi.org/10.1021/acs.jced.0c00750
url http://hdl.handle.net/20.500.14342/1025
https://doi.org/10.1021/acs.jced.0c00750
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Journal of Chemical and Engineering Data. Vol. 65, n.12 (2020), p.5844-5861
info:eu-repo/grantAgreement/Khalifa University of Science and Technology/Project RC2-2019-007/
info:eu-repo/grantAgreement/MCI/PN I+D/PID2019-108014RB-C21
info:eu-repo/grantAgreement/FCT-MCTES/Grant SFRH/BD
info:eu-repo/grantAgreement/LAQV/UID/QUI
dc.rights.none.fl_str_mv Attribution 4.0 International
© American Chemical Society.
http://creativecommons.org/licenses/by/4.0/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Attribution 4.0 International
© American Chemical Society.
http://creativecommons.org/licenses/by/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 18 p.
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv RECERCAT (Dipòsit de la Recerca de Catalunya)
reponame:DAU Arxiu Digital de la Universitat Ramon Llull
instname:Universitat Ramon Llull (URL)
instname_str Universitat Ramon Llull (URL)
reponame_str DAU Arxiu Digital de la Universitat Ramon Llull
collection DAU Arxiu Digital de la Universitat Ramon Llull
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869418436982996992
score 15,301603

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