ABSTRACT

This work focuses on modeling and experimental investigation of temperature dependent interfacialproperties of binary DMF/n-alkane (C7, C10, C12) mixtures. The systems consisting of solvents with very different polarity show azeotropic behavior. New experimental vapor-liquid and liquid-liquid interfacialtension data are provided between 298.15 and 328.15 K using the drop volume method. The Perturbed Chain Polar Statistical Associating Fluid Theory (PCP-SAFT) equation of state was combined with the Density Gradient Theory (DGT) to calculate phase equilibria and interfacial properties. Modeling results are in good agreement with the corresponding experimental data. Thereby, the binary parameter !ijwithin the DGT framework does not equal one. Investigating density and concentration profiles in theinterface revealed characteristic trends which are related to the azeotropic behavior of the mixtures.

Compounds

#	Formula	Name
1	C3H7NO	dimethylformamide
2	C7H16	heptane
3	C10H22	decane
4	C12H26	dodecane

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	1 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	35
POMD	1 2	Mass density, kg/m3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass density, kg/m3; Liquid mixture 2		Liquid mixture 1 Liquid mixture 2	Vibrating tube method	4
POMD	1 2	Interfacial tension, N/m ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid		Liquid Air at 1 atmosphere	Drop volume	34
POMD	1 2	Interfacial tension, N/m ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Drop volume	6
POMD	1 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	38
POMD	1 3	Mass density, kg/m3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass density, kg/m3; Liquid mixture 2		Liquid mixture 1 Liquid mixture 2	Vibrating tube method	6
POMD	1 3	Interfacial tension, N/m ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid		Liquid Air at 1 atmosphere	Drop volume	23
POMD	1 3	Interfacial tension, N/m ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Drop volume	6
POMD	1 4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	28
POMD	1 4	Mass density, kg/m3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass density, kg/m3; Liquid mixture 2		Liquid mixture 1 Liquid mixture 2	Vibrating tube method	8
POMD	1 4	Interfacial tension, N/m ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid		Liquid Air at 1 atmosphere	Drop volume	23
POMD	1 4	Interfacial tension, N/m ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Drop volume	8

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Interfacial tension of binary mixtures exhibiting azeotropic behavior: Measurement and modeling with PCP-SAFT combined with Density Gradient Theory

Schafer, E.[Elisabeth], Sadowski, G.[Gabriele], Enders, S.[Sabine]

ABSTRACT