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.

Compounds

#	Formula	Name
1	C2H3F3O	2,2,2-trifluoroethanol
2	C3H3F5O	2,2,3,3,3-pentafluoropropanol
3	C4H3F7O	2,2,3,3,4,4,4-heptafluorobutanol
4	C5H3F9O	2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol
5	H2O	water
6	D2O	water-d2

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	2 5	Binary diffusion coefficient, m2/s ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	NMR spin-echo technique	28
POMD	3 5	Binary diffusion coefficient, m2/s ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	NMR spin-echo technique	28
POMD	4 5	Binary diffusion coefficient, m2/s ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid	NMR spin-echo technique	14
POMD	3 6	Binary diffusion coefficient, m2/s ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	NMR spin-echo technique	21
POMD	1 6	Binary diffusion coefficient, m2/s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	NMR spin-echo technique	20

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water

Martins, L. F. G.[Luis F.G.], Pereira, L. A. M.[Luis A.M.], Silva, G. M. C.[Goncalo M.C.], Ascenso, J. R.[Jose R.], Morgado, P.[Pedro], Ramalho, J. P. P.[Joao P. Prates], Filipe, E. J. M.[Eduardo J.M.]

ABSTRACT