A global model for the estimation of speeds of sound in deep eutectic solvents

Detalhes bibliográficos
Autor(a) principal: Peyrovedin, Hamed
Data de Publicação: 2020
Outros Autores: Haghbakhsh, Reza, Duarte, Ana Rita C., Raeissi, Sona
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10362/119509
Resumo: ERC-2016-CoG 725,034 UID/QUI/50006/2019
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spelling A global model for the estimation of speeds of sound in deep eutectic solventsCorrelationDeep Eutectic SystemsGreen solventModelingPhysical propertySound velocityAnalytical ChemistryChemistry (miscellaneous)Molecular MedicinePharmaceutical ScienceDrug DiscoveryPhysical and Theoretical ChemistryOrganic ChemistryERC-2016-CoG 725,034 UID/QUI/50006/2019Deep eutectic solvents (DESs) are newly introduced green solvents that have attracted much attention regarding fundamentals and applications. Of the problems along the way of replacing a common solvent by a DES, is the lack of information on the thermophysical properties of DESs. This is even more accentuated by considering the dramatically growing number of DESs, being made by the combination of vast numbers of the constituting substances, and at their various molar ratios. The speed of sound is among the properties that can be used to estimate other important thermodynamic properties. In this work, a global and accurate model is proposed and used to estimate the speed of sound in 39 different DESs. This is the first general speed of sound model for DESs. The model does not require any thermodynamic properties other than the critical properties of the DESs, which are themselves calculated by group contribution methods, and in doing so, make the proposed method entirely independent of any experimental data as input. The results indicated that the average absolute relative deviation percentages (AARD%) of this model for 420 experimental data is only 5.4%. Accordingly, based on the achieved results, the proposed model can be used to predict the speeds of sound of DESs.LAQV@REQUIMTEDQ - Departamento de QuímicaRUNPeyrovedin, HamedHaghbakhsh, RezaDuarte, Ana Rita C.Raeissi, Sona2021-06-17T22:20:38Z2020-04-012020-04-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10362/119509eng1420-3049PURE: 32025478https://doi.org/10.3390/molecules25071626info: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:RCAAP2024-03-11T05:02:06Zoai:run.unl.pt:10362/119509Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:44:06.500819Repositório 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 A global model for the estimation of speeds of sound in deep eutectic solvents
title A global model for the estimation of speeds of sound in deep eutectic solvents
spellingShingle A global model for the estimation of speeds of sound in deep eutectic solvents
Peyrovedin, Hamed
Correlation
Deep Eutectic Systems
Green solvent
Modeling
Physical property
Sound velocity
Analytical Chemistry
Chemistry (miscellaneous)
Molecular Medicine
Pharmaceutical Science
Drug Discovery
Physical and Theoretical Chemistry
Organic Chemistry
title_short A global model for the estimation of speeds of sound in deep eutectic solvents
title_full A global model for the estimation of speeds of sound in deep eutectic solvents
title_fullStr A global model for the estimation of speeds of sound in deep eutectic solvents
title_full_unstemmed A global model for the estimation of speeds of sound in deep eutectic solvents
title_sort A global model for the estimation of speeds of sound in deep eutectic solvents
author Peyrovedin, Hamed
author_facet Peyrovedin, Hamed
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 Peyrovedin, Hamed
Haghbakhsh, Reza
Duarte, Ana Rita C.
Raeissi, Sona
dc.subject.por.fl_str_mv Correlation
Deep Eutectic Systems
Green solvent
Modeling
Physical property
Sound velocity
Analytical Chemistry
Chemistry (miscellaneous)
Molecular Medicine
Pharmaceutical Science
Drug Discovery
Physical and Theoretical Chemistry
Organic Chemistry
topic Correlation
Deep Eutectic Systems
Green solvent
Modeling
Physical property
Sound velocity
Analytical Chemistry
Chemistry (miscellaneous)
Molecular Medicine
Pharmaceutical Science
Drug Discovery
Physical and Theoretical Chemistry
Organic Chemistry
description ERC-2016-CoG 725,034 UID/QUI/50006/2019
publishDate 2020
dc.date.none.fl_str_mv 2020-04-01
2020-04-01T00:00:00Z
2021-06-17T22:20:38Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10362/119509
url http://hdl.handle.net/10362/119509
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 1420-3049
PURE: 32025478
https://doi.org/10.3390/molecules25071626
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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