ABSTRACT

Six ternary systems composed of hexadecane + propylbenzene, butylbenzene, or mesitylene+1-ethyl-3-methylimidazolium methylsulfate [emim][CH3SO4] or 1,3-dimethylimidazolium methylsulfate [mmim][CH3SO4] were used to examine the liquid separation of aromatic compounds (alkylbenzenes) from hexadecane at 313 and 333 K and an atmospheric pressure of 101.3 kPa. In addition, the effect of temperature and aromatic structure on solubility, distribution ratio, and selectivity was investigated. The UNIQUAC model was used to correlate the experimental liquid-liquid equilibria data, which is also presented in phase diagrams. The results suggest that both solvents ([emim][CH3SO4] and [mmim][CH3SO4]) are feasible alternatives to conventional solvents for the extraction of aromatics, with higher selectivities and distribution coefficients observed for [emim][CH3SO4] than for [mmim][CH3SO4].

Compounds

#	Formula	Name
1	C16H34	hexadecane
2	C9H12	propylbenzene
3	C7H14N2O4S	1-ethyl-3-methylimidazolium methylsulfate
4	C10H14	butylbenzene
5	C9H12	1,3,5-trimethylbenzene
6	C6H12N2O4S	1,3-dimethylimidazolium methylsulfate

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 3	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 2; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	38
POMD	1 4 3	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 4; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	38
POMD	1 5 3	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 5 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 5; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	38
POMD	1 2 6	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 2; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	38
POMD	1 4 6	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 4; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	38
POMD	1 5 6	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 5 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 5; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	38
POMD	1 3	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	4
POMD	2 3	Mole fraction - 2 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	2 3	Mole fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	4 3	Mole fraction - 4 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	4 3	Mole fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	5 3	Mole fraction - 5 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	5 3	Mole fraction - 5 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	1 6	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	4
POMD	2 6	Mole fraction - 2 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	2 6	Mole fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	4 6	Mole fraction - 4 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	4 6	Mole fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	5 6	Mole fraction - 5 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	5 6	Mole fraction - 5 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	2

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Evaluation of 1-ethyl-3-methylimidazolium methylsulfate and 1,3-dimethylimidazolium methylsulfate as solvents for extraction of alkylbenzenes from hexadecane at 313 and 333 K

Alkhaldi, Khaled H.A.E., Al-Jimaz, Adel S., AlTuwaim, Mohammad S.

ABSTRACT