Extensive characterization of choline chloride and its solid–liquid equilibrium with water
Autor(a) principal: | |
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Data de Publicação: | 2018 |
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/10198/22292 |
Resumo: | The importance of choline chloride (ChCl) is recognized due to its widespread use in the formulation of deep eutectic solvents. The controlled addition of water in deep eutectic solvents has been proposed to overcome some of the major drawbacks of these solvents, namely their high hygroscopicities and viscosities. Recently, aqueous solutions of ChCl at specific mole ratios have been presented as a novel, low viscous deep eutectic solvent. Nevertheless, these proposals are suggested without any information about the solid–liquid phase diagram of this system or the deviations from the thermodynamic ideality of its precursors. This work contributes significantly to this matter as the phase behavior of pure ChCl and (ChCl + H2 O) binary mixtures was investigated by calorimetric and analytical techniques. The thermal behavior and stability of ChCl were studied by polarized light optical microscopy and differential scanning calorimetry, confirming the existence of a solid–solid transition at 352.2 0.6 K. Additionally, heat capacity measurements of pure ChCl (covering both ChCl solid phases) and aqueous solutions of ChCl (xChCl o 0.4) were performed using a heat-flow differential scanning microcalorimeter or a high- precision heat capacity drop calorimeter, allowing the estimation of a heat capacity change of (ChCl) E 39.3 10 J K 1 mol 1 , between the hypothetical liquid and the observed crystalline phase at 298.15 K. The solid–liquid phase diagram of the ChCl + water mixture was investigated in the whole concentration range by differential scanning calorimetry and the analytical shake-flask method. The phase diagram obtained for the mixture shows an eutectic temperature of 204 K, at a mole fraction of choline chloride close to xChCl = 0.2, and a shift of the solid–solid transition of ChCl–water mixtures of 10 K below the value observed for pure choline chloride, suggesting the appearance of a new crystalline structure of ChCl in the presence of water, as confirmed by X-ray diffraction. The liquid phase presents significant negative deviations to ideality for water while COSMO-RS predicts a near ideal behaviour for ChCl. |
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Extensive characterization of choline chloride and its solid–liquid equilibrium with waterCholine chlorideThe importance of choline chloride (ChCl) is recognized due to its widespread use in the formulation of deep eutectic solvents. The controlled addition of water in deep eutectic solvents has been proposed to overcome some of the major drawbacks of these solvents, namely their high hygroscopicities and viscosities. Recently, aqueous solutions of ChCl at specific mole ratios have been presented as a novel, low viscous deep eutectic solvent. Nevertheless, these proposals are suggested without any information about the solid–liquid phase diagram of this system or the deviations from the thermodynamic ideality of its precursors. This work contributes significantly to this matter as the phase behavior of pure ChCl and (ChCl + H2 O) binary mixtures was investigated by calorimetric and analytical techniques. The thermal behavior and stability of ChCl were studied by polarized light optical microscopy and differential scanning calorimetry, confirming the existence of a solid–solid transition at 352.2 0.6 K. Additionally, heat capacity measurements of pure ChCl (covering both ChCl solid phases) and aqueous solutions of ChCl (xChCl o 0.4) were performed using a heat-flow differential scanning microcalorimeter or a high- precision heat capacity drop calorimeter, allowing the estimation of a heat capacity change of (ChCl) E 39.3 10 J K 1 mol 1 , between the hypothetical liquid and the observed crystalline phase at 298.15 K. The solid–liquid phase diagram of the ChCl + water mixture was investigated in the whole concentration range by differential scanning calorimetry and the analytical shake-flask method. The phase diagram obtained for the mixture shows an eutectic temperature of 204 K, at a mole fraction of choline chloride close to xChCl = 0.2, and a shift of the solid–solid transition of ChCl–water mixtures of 10 K below the value observed for pure choline chloride, suggesting the appearance of a new crystalline structure of ChCl in the presence of water, as confirmed by X-ray diffraction. The liquid phase presents significant negative deviations to ideality for water while COSMO-RS predicts a near ideal behaviour for ChCl.This work was supported by the Fundação para a Ciência e Tecnologia (FCT) (funded by national funds through the FCT/ MCTES (PIDDAC)) to CIQUP, the Faculty of Science, University of Porto (Project UIDB/00081/2020), the IMS-Institute of Mole- cular Sciences (LA/P/0056/2020), the CIMO-Mountain Research Center (Project UIDB/00690/2020), and the CICECO-Aveiro Institute of Materials (Projects UIDB/50011/2020, UIDP/50011/ 2020 and LA/P/0006/2020). Support was also provided by project AllNat—POCI-01-0145-FEDER-030463 (PTDC/EQU-EPQ/30463/ 2017), funded by FEDER funds through COMPETE2020---Prog. Operacional Competitividade e Internacionalizaça ̃o (POCI), and by national funds through the Foundation for Science and Technology (FCT/MCTES). The NMR spectrometers are a part of the National NMR Network (PTNMR) and are partially supported by the Infrastructure Project No. 022161 (co- financed by FEDER through COMPETE 2020, POCI and PORL and FCT through PIDDAC). AIMCLF is also financed by national funds through the FCT-I.P., in the framework of the execution of the program contract provided in paragraphs 4, 5 and 6 of art. 23 of Law no. 57/2016 of 29 August, as amended by Law no. 57/2017 of 19 July. Se ́rgio M. Vilas-Boas acknowledges the FCT and European Social Fund (ESF) for his PhD grant (SFRH/BD/138149/2018).Royal Society of ChemistrySoares-Santos, Paula C.Biblioteca Digital do IPBFerreira, Ana I.M.C. LoboVilas-Boas, Sérgio M.Silva, Rodrigo M.A.Martins, Mónia A.R.Abranches, Dinis O.Paz, Filipe A. AlmeidaFerreira, OlgaPinho, SimãoSantos, Luís M.N.B.F.Coutinho, João A.P.2018-01-19T10:00:00Z20222022-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10198/22292engFerreira, Ana I.M.C. Lobo; Vilas-Boas, Sérgio M.; Silva, Rodrigo M.A.; Martins, Mónia A.R.; Abranches, Dinis O.; Paz, Filipe A. Almeida; Ferreira, Olga; Pinho, Simão; Santos, Luís M.N.B.F.; Coutinho, João A.P. (2022). Extensive characterization of choline chloride and its solid–liquid equilibrium with water. Physical Chemistry Chemical Physics. ISSN 1463-9076. 24, p. 14886–148971463-907610.1039/d2cp00377e1463-9084info: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:RCAAP2023-12-20T01:18:13Zoai:bibliotecadigital.ipb.pt:10198/22292Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T23:13:32.635263Repositório 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 |
Extensive characterization of choline chloride and its solid–liquid equilibrium with water |
title |
Extensive characterization of choline chloride and its solid–liquid equilibrium with water |
spellingShingle |
Extensive characterization of choline chloride and its solid–liquid equilibrium with water Ferreira, Ana I.M.C. Lobo Choline chloride |
title_short |
Extensive characterization of choline chloride and its solid–liquid equilibrium with water |
title_full |
Extensive characterization of choline chloride and its solid–liquid equilibrium with water |
title_fullStr |
Extensive characterization of choline chloride and its solid–liquid equilibrium with water |
title_full_unstemmed |
Extensive characterization of choline chloride and its solid–liquid equilibrium with water |
title_sort |
Extensive characterization of choline chloride and its solid–liquid equilibrium with water |
author |
Ferreira, Ana I.M.C. Lobo |
author_facet |
Ferreira, Ana I.M.C. Lobo Vilas-Boas, Sérgio M. Silva, Rodrigo M.A. Martins, Mónia A.R. Abranches, Dinis O. Paz, Filipe A. Almeida Ferreira, Olga Pinho, Simão Santos, Luís M.N.B.F. Coutinho, João A.P. |
author_role |
author |
author2 |
Vilas-Boas, Sérgio M. Silva, Rodrigo M.A. Martins, Mónia A.R. Abranches, Dinis O. Paz, Filipe A. Almeida Ferreira, Olga Pinho, Simão Santos, Luís M.N.B.F. Coutinho, João A.P. |
author2_role |
author author author author author author author author author |
dc.contributor.none.fl_str_mv |
Soares-Santos, Paula C. Biblioteca Digital do IPB |
dc.contributor.author.fl_str_mv |
Ferreira, Ana I.M.C. Lobo Vilas-Boas, Sérgio M. Silva, Rodrigo M.A. Martins, Mónia A.R. Abranches, Dinis O. Paz, Filipe A. Almeida Ferreira, Olga Pinho, Simão Santos, Luís M.N.B.F. Coutinho, João A.P. |
dc.subject.por.fl_str_mv |
Choline chloride |
topic |
Choline chloride |
description |
The importance of choline chloride (ChCl) is recognized due to its widespread use in the formulation of deep eutectic solvents. The controlled addition of water in deep eutectic solvents has been proposed to overcome some of the major drawbacks of these solvents, namely their high hygroscopicities and viscosities. Recently, aqueous solutions of ChCl at specific mole ratios have been presented as a novel, low viscous deep eutectic solvent. Nevertheless, these proposals are suggested without any information about the solid–liquid phase diagram of this system or the deviations from the thermodynamic ideality of its precursors. This work contributes significantly to this matter as the phase behavior of pure ChCl and (ChCl + H2 O) binary mixtures was investigated by calorimetric and analytical techniques. The thermal behavior and stability of ChCl were studied by polarized light optical microscopy and differential scanning calorimetry, confirming the existence of a solid–solid transition at 352.2 0.6 K. Additionally, heat capacity measurements of pure ChCl (covering both ChCl solid phases) and aqueous solutions of ChCl (xChCl o 0.4) were performed using a heat-flow differential scanning microcalorimeter or a high- precision heat capacity drop calorimeter, allowing the estimation of a heat capacity change of (ChCl) E 39.3 10 J K 1 mol 1 , between the hypothetical liquid and the observed crystalline phase at 298.15 K. The solid–liquid phase diagram of the ChCl + water mixture was investigated in the whole concentration range by differential scanning calorimetry and the analytical shake-flask method. The phase diagram obtained for the mixture shows an eutectic temperature of 204 K, at a mole fraction of choline chloride close to xChCl = 0.2, and a shift of the solid–solid transition of ChCl–water mixtures of 10 K below the value observed for pure choline chloride, suggesting the appearance of a new crystalline structure of ChCl in the presence of water, as confirmed by X-ray diffraction. The liquid phase presents significant negative deviations to ideality for water while COSMO-RS predicts a near ideal behaviour for ChCl. |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018-01-19T10:00:00Z 2022 2022-01-01T00:00:00Z |
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/10198/22292 |
url |
http://hdl.handle.net/10198/22292 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Ferreira, Ana I.M.C. Lobo; Vilas-Boas, Sérgio M.; Silva, Rodrigo M.A.; Martins, Mónia A.R.; Abranches, Dinis O.; Paz, Filipe A. Almeida; Ferreira, Olga; Pinho, Simão; Santos, Luís M.N.B.F.; Coutinho, João A.P. (2022). Extensive characterization of choline chloride and its solid–liquid equilibrium with water. Physical Chemistry Chemical Physics. ISSN 1463-9076. 24, p. 14886–14897 1463-9076 10.1039/d2cp00377e 1463-9084 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
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openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Royal Society of Chemistry |
publisher.none.fl_str_mv |
Royal Society of Chemistry |
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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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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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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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