Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water
Autor(a) principal: | |
---|---|
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/10174/18692 https://doi.org/10.1016/j.fluid.2015.06.006 |
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. |
id |
RCAP_d4484d266ac50b84ec1f10aab4ddc26b |
---|---|
oai_identifier_str |
oai:dspace.uevora.pt:10174/18692 |
network_acronym_str |
RCAP |
network_name_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository_id_str |
|
spelling |
Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in waterFluorinated alcoholsDiffusion coefficientsPFG-NMR spin echoMolecular dynamicsIntra-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.Elsevier2016-07-19T17:05:57Z2016-07-192016-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10174/18692http://hdl.handle.net/10174/18692https://doi.org/10.1016/j.fluid.2015.06.006porLuís F.G. Martins, Luís A.M. Pereira, Gonçalo M.C. Silva, José R. Ascenso, Pedro Morgado, João P. Prates Ramalho, Eduardo J.M. Filipe, Fluid Phase Equilibria 407 (2016) 322–333lfgm@uevora.ptluisp2005@gmail.comgoncalo.silva20@gmail.comjose.ascenso@tecnico.ulisboa.ptpm.elessar@gmail.comjpcar@uevora.ptefilipe@tecnico.ulisboa.pt434Martins, Luís F. G.Pereira, Luís A. M.Silva, Gonçalo M. C.Ascenso, José R.Morgado, PedroPrates Ramalho, João P.Filipe, 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:RCAAP2023-08-08T04:20:52ZPortal AgregadorONG |
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. Fluorinated alcohols Diffusion coefficients PFG-NMR spin echo Molecular dynamics |
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 Prates Ramalho, João P. Filipe, Eduardo J. M. |
author_role |
author |
author2 |
Pereira, Luís A. M. Silva, Gonçalo M. C. Ascenso, José R. Morgado, Pedro Prates Ramalho, João P. 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 Prates Ramalho, João P. Filipe, Eduardo J. M. |
dc.subject.por.fl_str_mv |
Fluorinated alcohols Diffusion coefficients PFG-NMR spin echo Molecular dynamics |
topic |
Fluorinated alcohols Diffusion coefficients PFG-NMR spin echo Molecular dynamics |
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 |
2016-07-19T17:05:57Z 2016-07-19 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/10174/18692 http://hdl.handle.net/10174/18692 https://doi.org/10.1016/j.fluid.2015.06.006 |
url |
http://hdl.handle.net/10174/18692 https://doi.org/10.1016/j.fluid.2015.06.006 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.none.fl_str_mv |
Luís F.G. Martins, Luís A.M. Pereira, Gonçalo M.C. Silva, José R. Ascenso, Pedro Morgado, João P. Prates Ramalho, Eduardo J.M. Filipe, Fluid Phase Equilibria 407 (2016) 322–333 lfgm@uevora.pt luisp2005@gmail.com goncalo.silva20@gmail.com jose.ascenso@tecnico.ulisboa.pt pm.elessar@gmail.com jpcar@uevora.pt efilipe@tecnico.ulisboa.pt 434 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
Elsevier |
publisher.none.fl_str_mv |
Elsevier |
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 |
|
repository.mail.fl_str_mv |
|
_version_ |
1777304620843925504 |