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Title: Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water
Authors: 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.
Keywords: Fluorinated alcohols
Diffusion coefficients
PFG-NMR spin echo
Molecular dynamics
Issue Date: 2016
Publisher: Elsevier
Citation: 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
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.
Type: article
Appears in Collections:CQE - Publicações - Artigos em Revistas Internacionais Com Arbitragem Científica

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