ABSTRACT

ABSTRACT: The experimental liquid - liquid equilibria (LLE) for several systems containing benzene or thiophene + cyclohexane or hexadecane + choline chloride based deep eutectic solvents (DESs) including: (mono-, di- and tri-) ethanol amines and (mono-, di- and tri-) ethylene glycols were measured at T = (298.15 to 308.15) K and atmospheric pressure. The distribution coefficient () and selectivity (S) were calculated to evaluate the efficiency of the studied solvents for aromatics (benzene or thiophene) extraction from nonaromatic phase. Generally, the selectivity values decreases with increasing of the temperature for our studied DESs. The Othmer-Tobias equation was used to ensure the consistency of the obtained LLE data. The NRTL and UNIQUAC models were used to correlate the experimental LLE data. The Hansen solubility parameters confirm the performance of the studied DESs for benzene and thiophene extraction. The measured LLE data in this study shows better performance of aromatics extraction by the studied DESs from hexadecane including systems.

Compounds

#	Formula	Name
1	C5H14ClNO	choline chloride
2	C2H6O2	1,2-ethanediol
3	C4H10O3	diethylene glycol
4	C6H14O4	triethylene glycol
5	C2H7NO	2-aminoethan-1-ol
6	C4H11NO2	diethanolamine
7	C6H15NO3	triethanolamine
8	C6H12	cyclohexane
9	C16H34	hexadecane

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 - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	1 2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	8
POMD	1 2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	1 2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	8
POMD	1 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	1 3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	8
POMD	1 3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	1 3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	8
POMD	1 4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	1 4	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	8
POMD	1 4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	1 4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	8
POMD	1 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	1 5	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	8
POMD	1 5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	1 5	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	8
POMD	1 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	1 6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	8
POMD	1 6	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	1 6	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	8
POMD	1 7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	1 7	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	8
POMD	1 7	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	1 7	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	8
POMD	8 1 2	Mole fraction - 8 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	8 1 3	Mole fraction - 8 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	8 1 4	Mole fraction - 8 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	8 1 5	Mole fraction - 8 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	8 1 6	Mole fraction - 8 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	8 1 7	Mole fraction - 8 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	9 1 2	Mole fraction - 9 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	9 1 3	Mole fraction - 9 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	9 1 4	Mole fraction - 9 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	9 1 5	Mole fraction - 9 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	9 1 6	Mole fraction - 9 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	9 1 7	Mole fraction - 9 ; Liquid mixture 1	Solvent: Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Liquid-Liquid Equilibria for Benzene/Thiophene + Cyclohexane/Hexadecane + Deep Eutectic Solvents: Data and Correlation

Shekaari, H.[Hemayat], Zafarani-Moattar, M. T.[Mohammed Taghi], Mohammadi, B.[Behrouz]

ABSTRACT