ABSTRACT

Partial molar volumes at infinite dilution have been obtained for 3 perfluoroalkylalkanes (PFAA) in n-octane at 298.15 K from experimental apparent molal volumes. The results were interpreted estimating the contributions of the hydrogenated and perfluorinated segments to the partial molar volume. For this reason, partial molar volumes at infinite dilution for 3 perfluoroalkanes (PFA) in n-octane at 298.15 K have also been obtained. The results were further interpreted using the hetero-SAFT-VR equation of state, which models the perfluoroalkylalkanes as heterosegmented di-block chains. The cross interactions, both intra and intermolecular, were characterised using parameters developed in earlier studies for (alkane + perfluoroalkane) mixtures: the calculations are thus fully predictive. The theory is able to accurately predict the volumetric behaviour of the solutions of perfluoroalkylalkanes, without fitting to any experimental data.

Compounds

#	Formula	Name
1	C10H13F9	1,1,1,2,2,3,3,4,4-nonafluorodecane
2	C12H17F9	1,1,1,2,2,3,3,4,4-nonafluorododecane
3	C6F14	perfluorohexane
4	C8F18	octadecafluorooctane
5	C9F20	eicosafluorononane
6	C8H18	octane
7	C9H11F9	1,1,1,2,2,3,3,4,4-nonafluorononane

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	6 3	Molar volume, m3/mol ; Liquid	Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	12
POMD	6 3	Partial molar volume, m3/mol - 3 ; Liquid	Molality, mol/kg - 3; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Derived analytically	1
POMD	6 4	Molar volume, m3/mol ; Liquid	Molality, mol/kg - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	8
POMD	6 4	Partial molar volume, m3/mol - 4 ; Liquid	Molality, mol/kg - 4; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Derived analytically	1
POMD	6 5	Molar volume, m3/mol ; Liquid	Molality, mol/kg - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	8
POMD	6 5	Partial molar volume, m3/mol - 5 ; Liquid	Molality, mol/kg - 5; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Derived analytically	1
POMD	6 7	Molar volume, m3/mol ; Liquid	Molality, mol/kg - 7; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	8
POMD	6 7	Partial molar volume, m3/mol - 7 ; Liquid	Molality, mol/kg - 7; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Derived analytically	1
POMD	6 1	Molar volume, m3/mol ; Liquid	Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	8
POMD	6 1	Partial molar volume, m3/mol - 1 ; Liquid	Molality, mol/kg - 1; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Derived analytically	1
POMD	6 2	Molar volume, m3/mol ; Liquid	Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	8
POMD	6 2	Partial molar volume, m3/mol - 2 ; Liquid	Molality, mol/kg - 2; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Derived analytically	1

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Perfluoroalkanes and perfluoroalkylalkane surfactants in solution: Partial molar volumes in n-octane and hetero-SAFT-VR modelling

Morgado, P.[Pedro], Rodrigues, H.[Hugo], Blas, F. J.[Felipe J.], McCabe, C.[Clare], Filipe, E. J. M.[Eduardo J. M.]

ABSTRACT