ABSTRACT

Liquid-liquid equilibrium data for methyl tert-butyl ether (MTBE) + ethanol + water and MTBE + 1-hexanol + water have been experimentally measured over the temperature range of 288.15 to 308.15 K. The equilibrium data of this work, in addition to the available MTBE-containing LLE data in the technical literature, are analyzed using UNIQUAC, NRTL, UNIFAC-LL, and UNIFAC-DMD models as programmed by the Aspen Plus simulator. On the basis of analyses of the experimental data of this work, UNIFAC-LLE and UNIFAC-DMD showed the best predictive performance for the mole fraction of the target species (MTBE) in both the organic and aqueous phases.

Compounds

#	Formula	Name
1	C5H12O	2-methoxy-2-methylpropane
2	C2H6O	ethanol
3	C6H14O	hexan-1-ol
4	H2O	water

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 4	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:16	5
POMD	1 4	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	CHROM:UFactor:16	5
POMD	3 4	Mass density, kg/m3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	PYCNOM:UFactor:32	3
POMD	3 4	Mass density, kg/m3 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	PYCNOM:UFactor:32	3
POMD	3 4	Mole fraction - 3 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	CHROM:UFactor:16	3
POMD	3 4	Mole fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:16	3
POMD	2 1 4	Mass density, kg/m3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	PYCNOM:UFactor:32	13
POMD	2 1 4	Mass density, kg/m3 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Mole fraction - 1; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	PYCNOM:UFactor:32	13
POMD	2 1 4	Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 2	Temperature, K; Liquid mixture 1 Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:16 CHROM:UFactor:16 CHROM:UFactor:16	13
POMD	3 1 4	Mass density, kg/m3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	PYCNOM:UFactor:32	34
POMD	3 1 4	Mass density, kg/m3 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Mole fraction - 1; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	PYCNOM:UFactor:32	34
POMD	3 1 4	Mole fraction - 3 ; Liquid mixture 2 Mole fraction - 3 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 2 Mole fraction - 1; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	CHROM:UFactor:16 CHROM:UFactor:16 CHROM:UFactor:16	34

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

Liquid-Liquid Equilibrium of MTBE + Ethanol + Water and MTBE + 1-Hexanol + Water over the Temperature Range of 288.15 to 308.15 K

Ashour, I.[Ibrahim]

ABSTRACT