ABSTRACT

The determination region of solubility of TBA (tert-butanol) with representative compounds of the gasoline was investigated experimentally at temperature of 298.2 K. Type 1 (liquid + liquid) phase diagrams were obtained for (methylcyclohexane + TBA + aromatic compounds). These results were correlated simultaneously by the UNIQUAC model. The values of the interaction parameters between each pair of components in the systems were obtained for the UNIQUAC model using the experimental result. The root mean square deviation (RMSD) between the observed and calculated mole percents was 1.88 for (methylcyclohexane + TBA + benzene), 2.45 for (methylcyclohexane + TBA + toluene) and 2.86 for (methylcyclohexane + TBA + ethylbenzene). The mutual solubility of methylcyclohexane and aromatic compounds (e.g., benzene toluene and ethylbenzene (BTE)) was also investigated by the addition of TBA at temperature of 298.2 K.

Compounds

#	Formula	Name
1	C4H10O	2-methylpropan-2-ol
2	C7H8	toluene
3	C7H14	methylcyclohexane
4	C8H10	ethylbenzene
5	C6H6	benzene

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

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Liquid + liquid) phase behavior for systems containing (aromatic + TBA + methylcyclohexane)

Ghanadzadeh, H., Ghanadzadeh, A.

ABSTRACT