ABSTRACT

The liquid liquid equilibrium (LLE) data were determined for the ternary systems {hexadecane + benzene + 2-methoxyethanol}, {hexadecane + toluene + 2-methoxyethanol}, {hexadecane + p-xylene + 2- methoxyethanol}, {hexadecane + benzene + acetonitrile}, {hexadecane + toluene + acetonitrile} and {hexadecane + p-xylene + acetonitrile} at 298.15 K and atmospheric pressure. Fromthe LLE data, the selectivity of 2-methoxyethanol and acetonitrile was analyzed to test solvent capability for the separation of aromatic compounds from (aliphatic + aromatic) mixture. The experimental ternary LLE data correlated well with the NRTL and UNIQUAC activity coefficient models with a root mean square deviation (RMSD) of less than 1%. The reliability of the experimental tie line data was ascertained by using the Othmer Tobias correlation. The selectivity of 2-methoxyethanol and acetonitrile for BTX aromatics was found to be dozens of times more than the unity for both solvents, especially for low concentrations of aromatic compounds.

Compounds

#	Formula	Name
1	C16H34	hexadecane
2	C6H6	benzene
3	C7H8	toluene
4	C8H10	1,4-dimethylbenzene
5	C3H8O2	2-methoxyethan-1-ol
6	C2H3N	acetonitrile

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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	6	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2 5 1	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 2; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	10
POMD	3 5 1	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 3 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 3; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	9
POMD	4 5 1	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 4; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	8
POMD	2 6 1	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 2; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	11
POMD	6 3 1	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 3 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 3; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	11
POMD	6 4 1	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 4; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	8
POMD	2 5	Mass density, kg/m3 ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	11
POMD	2 5	Refractive index (Na D-line) ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	11
POMD	3 5	Mass density, kg/m3 ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	11
POMD	3 5	Refractive index (Na D-line) ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	11
POMD	4 5	Mass density, kg/m3 ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	11
POMD	4 5	Refractive index (Na D-line) ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	11
POMD	2 6	Mass density, kg/m3 ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	11
POMD	2 6	Refractive index (Na D-line) ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	11
POMD	6 3	Mass density, kg/m3 ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	11
POMD	6 3	Refractive index (Na D-line) ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	11
POMD	6 4	Mass density, kg/m3 ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	11
POMD	6 4	Refractive index (Na D-line) ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	11

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid liquid equilibria in the ternary systems {hexadecane + BTX aromatics + 2-methoxyethanol or acetonitrile} at 298.15 K

You, S.-H.[Soo-Hyun], Jeong, I.-Y.[In-Yong], Park, S.-J.[So-Jin]

ABSTRACT