ABSTRACT

This study aims to determine the phase equilibria and mixture properties for the separation of reaction intermediates generated during the synthesis of non-phosgene diphenylcarbonate (DPC). The intermediates are based on dimethyl carbonate (DMC), phenol, methanol and anisole, etc. We analytically determined ternary liquid-liquid equilibria (LLE) for the following mixtures at atmospheric pressure and constant temperature: {water + DMC + anisole} at 313.15K, {water + methanol + anisole} at 308.15K and {water + methanol + phenol} at 328.15K. In addition, density, refractive indices, excess molar volumes V^E and deviations in the molar refractivity (delta-R) of constituent binary systems at 298.15 K were determined. The experimental LLE data correlated well with two excess Gibbs free energy models: Non-Random Two-Liquid (NRTL) and UNIversal QUAsiChemical (UNIQUAC). V^E and delta-R data were correlated well with Redlich-Kister polynomial.

Compounds

#	Formula	Name
1	H2O	water
2	C7H8O	anisole
3	C3H6O3	dimethyl carbonate
4	CH4O	methanol
5	C6H6O	phenol

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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2 3 1	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 3 ; Liquid mixture 1	Mole fraction - 3; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	10
POMD	4 2 1	Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 2	Mole fraction - 4; Liquid mixture 1	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	11
POMD	4 5 1	Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 2	Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	7
POMD	4 3	Mass density, kg/m3 ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	11
POMD	4 3	Refractive index (Na D-line) ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	11
POMD	4 2	Mass density, kg/m3 ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	11
POMD	4 2	Refractive index (Na D-line) ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	11
POMD	2 3	Mass density, kg/m3 ; Liquid	Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	11
POMD	2 3	Refractive index (Na D-line) ; Liquid	Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	11
POMD	2 1	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	2 1	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	3 1	Mole fraction - 1 ; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1		Liquid mixture 2 Liquid mixture 1	Chromatography	1
POMD	3 1	Mole fraction - 1 ; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2	Chromatography	1
POMD	5 1	Mole fraction - 1 ; Liquid mixture 1	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2	Chromatography	1
POMD	5 1	Mole fraction - 1 ; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 1		Liquid mixture 2 Liquid mixture 1	Chromatography	1

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Ternary liquid-liquid equilibria and binary excess and deviation properties at constant temperature for mixtures of dimethyl carbonate, anisole, methanol, phenol and water

Jeong, I.-Y.[In-Yong], You, S.-H.[Soo-Hyun], Park, S.-J.[So-Jin]

ABSTRACT