ABSTRACT

(Liquid + liquid) equilibrium data for the ternary systems of {(2-Methyl-1-propanol or 3-Methyl-1- butanol) + (1R,2R)-(-)-1,2-Diaminocyclohexane + water} were measured at (288.2 318.2) K under atmospheric pressure. The Othmer-Tobias and Hand equations were employed to verify the reliability of the experimental data. Besides, the distribution coefficients and selectivity factors calculated from the experimental tie-line data were applied to evaluate the extraction performance of separating (1R,2R)-( )-1,2- Diaminocyclohexane from aqueous solution and 3-Methyl-1-butanol was proved to be very promising. Furthermore, the binary interaction parameter values were obtained by correlating the experimental data with NRTL and UNIQUAC models. All the RMSD values were less than 0.0184, indicating that both models can be used to describe the liquid-liquid equilibrium behaviour of the studied systems.

Compounds

#	Formula	Name
1	C6H14N2	(1R,2R)-cyclohexane-1,2-diamine
2	C4H10O	2-methyl-1-propanol
3	C5H12O	3-methylbutan-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	2 4	Mass fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	4
POMD	2 4	Mass fraction - 2 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	4
POMD	3 4	Mass fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	4
POMD	3 4	Mass fraction - 3 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	4
POMD	2 4 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 2; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	28
POMD	3 4 1	Mass fraction - 3 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 1; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	29

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and thermodynamic modelling of ternary liquid-liquid equilibrium for extraction of (1R,2R)-(-)-1,2-Diaminocyclohexane from aqueous solution with C4-C5 alcohols at different temperatures

Li, Huanxin, Zhang, Junwei, Dou, Yonghui, Xu, Li, Liu, Guoji

ABSTRACT