Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water
Autor(a) principal: | |
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Data de Publicação: | 2016 |
Outros Autores: | , , , , , |
Tipo de documento: | Artigo |
Idioma: | por |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10174/16606 |
Resumo: | Intra-diffusion coefficients of three fluorinated alcohols, 2,2,3,3,3-pentafluoropropan-1-ol (PFP), 2,2,3,3,4,4,4-heptafluorobutan-1-ol (HFB) and 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol (NFP) in water have been measured by the PFG–NMR spin-echo technique as a function of temperature and composition, focusing on the alcohol dilute region. For comparison, intra-diffusion coefficients of 2,2,2- trifluoroethanol (TFE) and HFB have also been measured in heavy water using the same method and conditions. As far as we know, these are the first experimental measurements of this property for these binary systems. Intra-diffusion coefficients for NFP in water and for TFE and HFB in heavy water have also been obtained by molecular dynamics simulation, complementing those for TFE, PFP and HFB reported in a previous work. The agreement between experimental and simulated results for PFP, HFB and NFP in water is reasonable, although presenting higher deviations than for the TFE/water system. From the dependence of the intra-diffusion coefficients on temperature, diffusion activation energies were estimated for all the solutes in water and heavy water. |
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Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in waterIntra-diffusion coefficients of three fluorinated alcohols, 2,2,3,3,3-pentafluoropropan-1-ol (PFP), 2,2,3,3,4,4,4-heptafluorobutan-1-ol (HFB) and 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol (NFP) in water have been measured by the PFG–NMR spin-echo technique as a function of temperature and composition, focusing on the alcohol dilute region. For comparison, intra-diffusion coefficients of 2,2,2- trifluoroethanol (TFE) and HFB have also been measured in heavy water using the same method and conditions. As far as we know, these are the first experimental measurements of this property for these binary systems. Intra-diffusion coefficients for NFP in water and for TFE and HFB in heavy water have also been obtained by molecular dynamics simulation, complementing those for TFE, PFP and HFB reported in a previous work. The agreement between experimental and simulated results for PFP, HFB and NFP in water is reasonable, although presenting higher deviations than for the TFE/water system. From the dependence of the intra-diffusion coefficients on temperature, diffusion activation energies were estimated for all the solutes in water and heavy water.2016-01-13T13:03:27Z2016-01-132016-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10174/16606http://hdl.handle.net/10174/16606por03783812Martins, Luís F.G.; Pereira, Luís A.M.; Silva, Gonçalo M.C.; Ascenso, José R.; Morgado, Pedro; Ramalho, João P. Prates; Filipe, Eduardo J.M.Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water, Fluid Phase Equilibria, 407, 322-333, 2016.ndndndndndndndMartins, Luís F.G.Pereira, Luís A.M.Silva, Gonçalo M.C.Ascenso, José R.Morgado, PedroRamalho, João P. PratesFilipe, Eduardo J.M.info: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:RCAAP2024-01-03T19:03:22Zoai:dspace.uevora.pt:10174/16606Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T01:08:54.882352Repositório 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 |
Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water |
title |
Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water |
spellingShingle |
Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water Martins, Luís F.G. |
title_short |
Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water |
title_full |
Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water |
title_fullStr |
Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water |
title_full_unstemmed |
Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water |
title_sort |
Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water |
author |
Martins, Luís F.G. |
author_facet |
Martins, Luís F.G. Pereira, Luís A.M. Silva, Gonçalo M.C. Ascenso, José R. Morgado, Pedro Ramalho, João P. Prates Filipe, Eduardo J.M. |
author_role |
author |
author2 |
Pereira, Luís A.M. Silva, Gonçalo M.C. Ascenso, José R. Morgado, Pedro Ramalho, João P. Prates Filipe, Eduardo J.M. |
author2_role |
author author author author author author |
dc.contributor.author.fl_str_mv |
Martins, Luís F.G. Pereira, Luís A.M. Silva, Gonçalo M.C. Ascenso, José R. Morgado, Pedro Ramalho, João P. Prates Filipe, Eduardo J.M. |
description |
Intra-diffusion coefficients of three fluorinated alcohols, 2,2,3,3,3-pentafluoropropan-1-ol (PFP), 2,2,3,3,4,4,4-heptafluorobutan-1-ol (HFB) and 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol (NFP) in water have been measured by the PFG–NMR spin-echo technique as a function of temperature and composition, focusing on the alcohol dilute region. For comparison, intra-diffusion coefficients of 2,2,2- trifluoroethanol (TFE) and HFB have also been measured in heavy water using the same method and conditions. As far as we know, these are the first experimental measurements of this property for these binary systems. Intra-diffusion coefficients for NFP in water and for TFE and HFB in heavy water have also been obtained by molecular dynamics simulation, complementing those for TFE, PFP and HFB reported in a previous work. The agreement between experimental and simulated results for PFP, HFB and NFP in water is reasonable, although presenting higher deviations than for the TFE/water system. From the dependence of the intra-diffusion coefficients on temperature, diffusion activation energies were estimated for all the solutes in water and heavy water. |
publishDate |
2016 |
dc.date.none.fl_str_mv |
2016-01-13T13:03:27Z 2016-01-13 2016-01-01T00:00:00Z |
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/10174/16606 http://hdl.handle.net/10174/16606 |
url |
http://hdl.handle.net/10174/16606 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.none.fl_str_mv |
03783812 Martins, Luís F.G.; Pereira, Luís A.M.; Silva, Gonçalo M.C.; Ascenso, José R.; Morgado, Pedro; Ramalho, João P. Prates; Filipe, Eduardo J.M.Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water, Fluid Phase Equilibria, 407, 322-333, 2016. nd nd nd nd nd nd nd |
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info:eu-repo/semantics/openAccess |
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openAccess |
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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 |
reponame_str |
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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1799136571629240320 |