Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water
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,...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Martins, Luís F.G. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2016transfer abstract |
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| Schlagwörter: |
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| Umfang: |
12 |
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| Übergeordnetes Werk: |
Enthalten in: Fabrication and compressive behaviour of an aluminium foam composite - Li, Yong-gang ELSEVIER, 2015, an international journal, New York, NY [u.a.] |
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| Übergeordnetes Werk: |
volume:407 ; year:2016 ; day:15 ; month:01 ; pages:322-333 ; extent:12 |
| Links: |
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| DOI / URN: |
10.1016/j.fluid.2015.06.006 |
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| 245 | 1 | 0 | |a Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water |
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| 520 | |a 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. | ||
| 520 | |a 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. | ||
| 650 | 7 | |a PFG–NMR spin-echo |2 Elsevier | |
| 650 | 7 | |a Molecular dynamics |2 Elsevier | |
| 650 | 7 | |a Fluorinated alcohols |2 Elsevier | |
| 650 | 7 | |a Diffusion coefficients |2 Elsevier | |
| 700 | 1 | |a Pereira, Luís A.M. |4 oth | |
| 700 | 1 | |a Silva, Gonçalo M.C. |4 oth | |
| 700 | 1 | |a Ascenso, José R. |4 oth | |
| 700 | 1 | |a Morgado, Pedro |4 oth | |
| 700 | 1 | |a Ramalho, João P. Prates |4 oth | |
| 700 | 1 | |a Filipe, Eduardo J.M. |4 oth | |
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10.1016/j.fluid.2015.06.006 doi GBVA2016013000005.pica (DE-627)ELV029783615 (ELSEVIER)S0378-3812(15)00325-8 DE-627 ger DE-627 rakwb eng 660 540 660 DE-600 540 DE-600 670 VZ 540 VZ 630 VZ Martins, Luís F.G. verfasserin aut Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water 2016transfer abstract 12 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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. 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. PFG–NMR spin-echo Elsevier Molecular dynamics Elsevier Fluorinated alcohols Elsevier Diffusion coefficients Elsevier Pereira, Luís A.M. oth Silva, Gonçalo M.C. oth Ascenso, José R. oth Morgado, Pedro oth Ramalho, João P. Prates oth Filipe, Eduardo J.M. oth Enthalten in Science Direct Li, Yong-gang ELSEVIER Fabrication and compressive behaviour of an aluminium foam composite 2015 an international journal New York, NY [u.a.] (DE-627)ELV013241125 volume:407 year:2016 day:15 month:01 pages:322-333 extent:12 https://doi.org/10.1016/j.fluid.2015.06.006 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_31 GBV_ILN_40 GBV_ILN_100 GBV_ILN_136 AR 407 2016 15 0115 322-333 12 045F 660 |
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10.1016/j.fluid.2015.06.006 doi GBVA2016013000005.pica (DE-627)ELV029783615 (ELSEVIER)S0378-3812(15)00325-8 DE-627 ger DE-627 rakwb eng 660 540 660 DE-600 540 DE-600 670 VZ 540 VZ 630 VZ Martins, Luís F.G. verfasserin aut Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water 2016transfer abstract 12 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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. 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. PFG–NMR spin-echo Elsevier Molecular dynamics Elsevier Fluorinated alcohols Elsevier Diffusion coefficients Elsevier Pereira, Luís A.M. oth Silva, Gonçalo M.C. oth Ascenso, José R. oth Morgado, Pedro oth Ramalho, João P. Prates oth Filipe, Eduardo J.M. oth Enthalten in Science Direct Li, Yong-gang ELSEVIER Fabrication and compressive behaviour of an aluminium foam composite 2015 an international journal New York, NY [u.a.] (DE-627)ELV013241125 volume:407 year:2016 day:15 month:01 pages:322-333 extent:12 https://doi.org/10.1016/j.fluid.2015.06.006 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_31 GBV_ILN_40 GBV_ILN_100 GBV_ILN_136 AR 407 2016 15 0115 322-333 12 045F 660 |
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10.1016/j.fluid.2015.06.006 doi GBVA2016013000005.pica (DE-627)ELV029783615 (ELSEVIER)S0378-3812(15)00325-8 DE-627 ger DE-627 rakwb eng 660 540 660 DE-600 540 DE-600 670 VZ 540 VZ 630 VZ Martins, Luís F.G. verfasserin aut Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water 2016transfer abstract 12 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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. 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. PFG–NMR spin-echo Elsevier Molecular dynamics Elsevier Fluorinated alcohols Elsevier Diffusion coefficients Elsevier Pereira, Luís A.M. oth Silva, Gonçalo M.C. oth Ascenso, José R. oth Morgado, Pedro oth Ramalho, João P. Prates oth Filipe, Eduardo J.M. oth Enthalten in Science Direct Li, Yong-gang ELSEVIER Fabrication and compressive behaviour of an aluminium foam composite 2015 an international journal New York, NY [u.a.] (DE-627)ELV013241125 volume:407 year:2016 day:15 month:01 pages:322-333 extent:12 https://doi.org/10.1016/j.fluid.2015.06.006 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_31 GBV_ILN_40 GBV_ILN_100 GBV_ILN_136 AR 407 2016 15 0115 322-333 12 045F 660 |
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10.1016/j.fluid.2015.06.006 doi GBVA2016013000005.pica (DE-627)ELV029783615 (ELSEVIER)S0378-3812(15)00325-8 DE-627 ger DE-627 rakwb eng 660 540 660 DE-600 540 DE-600 670 VZ 540 VZ 630 VZ Martins, Luís F.G. verfasserin aut Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water 2016transfer abstract 12 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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. 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. PFG–NMR spin-echo Elsevier Molecular dynamics Elsevier Fluorinated alcohols Elsevier Diffusion coefficients Elsevier Pereira, Luís A.M. oth Silva, Gonçalo M.C. oth Ascenso, José R. oth Morgado, Pedro oth Ramalho, João P. Prates oth Filipe, Eduardo J.M. oth Enthalten in Science Direct Li, Yong-gang ELSEVIER Fabrication and compressive behaviour of an aluminium foam composite 2015 an international journal New York, NY [u.a.] (DE-627)ELV013241125 volume:407 year:2016 day:15 month:01 pages:322-333 extent:12 https://doi.org/10.1016/j.fluid.2015.06.006 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_31 GBV_ILN_40 GBV_ILN_100 GBV_ILN_136 AR 407 2016 15 0115 322-333 12 045F 660 |
| allfieldsSound |
10.1016/j.fluid.2015.06.006 doi GBVA2016013000005.pica (DE-627)ELV029783615 (ELSEVIER)S0378-3812(15)00325-8 DE-627 ger DE-627 rakwb eng 660 540 660 DE-600 540 DE-600 670 VZ 540 VZ 630 VZ Martins, Luís F.G. verfasserin aut Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water 2016transfer abstract 12 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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. 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. PFG–NMR spin-echo Elsevier Molecular dynamics Elsevier Fluorinated alcohols Elsevier Diffusion coefficients Elsevier Pereira, Luís A.M. oth Silva, Gonçalo M.C. oth Ascenso, José R. oth Morgado, Pedro oth Ramalho, João P. Prates oth Filipe, Eduardo J.M. oth Enthalten in Science Direct Li, Yong-gang ELSEVIER Fabrication and compressive behaviour of an aluminium foam composite 2015 an international journal New York, NY [u.a.] (DE-627)ELV013241125 volume:407 year:2016 day:15 month:01 pages:322-333 extent:12 https://doi.org/10.1016/j.fluid.2015.06.006 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_31 GBV_ILN_40 GBV_ILN_100 GBV_ILN_136 AR 407 2016 15 0115 322-333 12 045F 660 |
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fluorinated surfactants in solution: diffusion coefficients of fluorinated alcohols in water |
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Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water |
| abstract |
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. |
| abstractGer |
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. |
| abstract_unstemmed |
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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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. 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