Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2022 |
| Outros Autores: | , , |
| Tipo de documento: | Artigo |
| Idioma: | eng |
| Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
| Texto Completo: | http://hdl.handle.net/10362/150724 |
Resumo: | Publisher Copyright: Copyright © 2022 Parvaneh, Haghbakhsh, Duarte and Raeissi. |
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Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoSassociation schemesCODES (deep eutectic solvents)phase behaviorvapor-liquid equilibria (VLE)Chemistry(all)Publisher Copyright: Copyright © 2022 Parvaneh, Haghbakhsh, Duarte and Raeissi.Having been introduced in 2003, Deep Eutectic Solvents (DESs) make up a most recent category of green solvents. Due to their unique characteristics, and also their tunable physical properties, DESs have shown high potentials for use in various applications. One of the investigated applications is CO2 absorption. The thermodynamic modeling of CO2 solubility in DESs has been pursued by a number of researchers to estimate the capacity and capability of DESs for such tasks. Among the advanced equations of state (EoSs), the Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT) is a well-known EoS. In this study, the performance of the PC-SAFT EoS for estimating CO2 solubility in various DESs, within wide ranges of temperatures and pressures, was investigated. A large data bank, including 2542 CO2 solubility data in 109 various-natured DESs was developed and used for this study. This is currently the most comprehensive study in the open literature on CO2 solubility in DESs using an EoS. For modeling, the DES was considered as a pseudo-component with a 2B association scheme. CO2 was considered as both an inert and a 2B-component and the results of each association scheme were compared. Considering the very challenging task of modeling a complex hydrogen bonding mixture with gases, the results of AARD% being lower than 10% for both of the investigated association schemes of CO2, showed that PC-SAFT is a suitable model for estimating CO2 solubilities in various DESs. Also, by proposing generalized correlations to predict the PC-SAFT parameters, covering different families of DESs, the developed model provides a global technique to estimate CO2 solubilities in new and upcoming DESs, avoiding the necessity of further experimental work. This can be most valuable for screening and feasibility studies to select potential DESs from the innumerable options available.LAQV@REQUIMTEDQ - Departamento de QuímicaRUNParvaneh, KhalilHaghbakhsh, RezaDuarte, Ana Rita C.Raeissi, Sona2023-03-16T22:37:48Z2022-08-092022-08-09T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article16application/pdfhttp://hdl.handle.net/10362/150724engParvaneh, K., Haghbakhsh, R., Duarte, A. R. C., & Raeissi, S. (2022). Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS. Frontiers in Chemistry, 10, [909485]. https://doi.org/10.3389/fchem.2022.9094852296-2646PURE: 56090715https://doi.org/10.3389/fchem.2022.909485info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-03-11T05:33:04Zoai:run.unl.pt:10362/150724Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:54:16.881707Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
| dc.title.none.fl_str_mv |
Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS |
| title |
Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS |
| spellingShingle |
Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS Parvaneh, Khalil association schemes CO DES (deep eutectic solvents) phase behavior vapor-liquid equilibria (VLE) Chemistry(all) |
| title_short |
Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS |
| title_full |
Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS |
| title_fullStr |
Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS |
| title_full_unstemmed |
Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS |
| title_sort |
Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS |
| author |
Parvaneh, Khalil |
| author_facet |
Parvaneh, Khalil Haghbakhsh, Reza Duarte, Ana Rita C. Raeissi, Sona |
| author_role |
author |
| author2 |
Haghbakhsh, Reza Duarte, Ana Rita C. Raeissi, Sona |
| author2_role |
author author author |
| dc.contributor.none.fl_str_mv |
LAQV@REQUIMTE DQ - Departamento de Química RUN |
| dc.contributor.author.fl_str_mv |
Parvaneh, Khalil Haghbakhsh, Reza Duarte, Ana Rita C. Raeissi, Sona |
| dc.subject.por.fl_str_mv |
association schemes CO DES (deep eutectic solvents) phase behavior vapor-liquid equilibria (VLE) Chemistry(all) |
| topic |
association schemes CO DES (deep eutectic solvents) phase behavior vapor-liquid equilibria (VLE) Chemistry(all) |
| description |
Publisher Copyright: Copyright © 2022 Parvaneh, Haghbakhsh, Duarte and Raeissi. |
| publishDate |
2022 |
| dc.date.none.fl_str_mv |
2022-08-09 2022-08-09T00:00:00Z 2023-03-16T22:37:48Z |
| dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
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info:eu-repo/semantics/article |
| format |
article |
| status_str |
publishedVersion |
| dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10362/150724 |
| url |
http://hdl.handle.net/10362/150724 |
| dc.language.iso.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
Parvaneh, K., Haghbakhsh, R., Duarte, A. R. C., & Raeissi, S. (2022). Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS. Frontiers in Chemistry, 10, [909485]. https://doi.org/10.3389/fchem.2022.909485 2296-2646 PURE: 56090715 https://doi.org/10.3389/fchem.2022.909485 |
| dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
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openAccess |
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16 application/pdf |
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reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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