ABSTRACT

The separation of propylene carbonate (PC) and ?-butyrolactone (GBL) from their primary impurities, which include water, propylene glycol (PG), and diethyl succinate (DES) and lower the potential of PC as a solvent in lithium batteries, was investigated. Consequently, the isobaric vapor-liquid equilibria (VLEs) for the PG + PC, GBL + DES, and water + GBL binary systems, as well as the solid-liquid equilibria (SLEs) for the GBL + DES and water + GBL binary systems, were characterized. The Wilson, nonrandom two-liquid (NRTL), and universal quasi-chemical (UNIQUAC) equations are used to describe the aforementioned VLEs and SLEs. Furthermore, we report the vapor pressures of PG, GBL, DES, and PC with a dynamic glass still from T = (376.99 to 485.91) K, as well as excess molar volume mixture properties (VE), deviations in the molar refraction (?R), and deviations in viscosity (??) at 298.15 K for the same compositions.

Compounds

#	Formula	Name
1	C4H6O3	4-methyl-1,3-dioxolan-2-one
2	C8H14O4	diethyl butanedioate
3	C4H6O2	.gamma.-butyrolactone
4	C3H8O2	1,2-propanediol
5	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	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	7
POMD	1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1	Viscosity, Pa*s ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Capillary tube (Ostwald; Ubbelohde) method	1
POMD	1	Mass density, kg/m3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	VIBTUB:UFactor:2	1
POMD	2	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	VISOBS::UFactor:4	1
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	7
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Viscosity, Pa*s ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Capillary tube (Ostwald; Ubbelohde) method	1
POMD	2	Mass density, kg/m3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	VIBTUB:UFactor:2	1
POMD	3	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	VISOBS::UFactor:4	1
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	12
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	3	Viscosity, Pa*s ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Capillary tube (Ostwald; Ubbelohde) method	1
POMD	3	Mass density, kg/m3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	VIBTUB:UFactor:2	1
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	12
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	4	Viscosity, Pa*s ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Capillary tube (Ostwald; Ubbelohde) method	1
POMD	4	Mass density, kg/m3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	VIBTUB::UFactor:2	1
POMD	5	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	VISOBS::UFactor:4	1
POMD	4 1	Viscosity, Pa*s ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	13
POMD	4 1	Refractive index (Na D-line) ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	13
POMD	4 1	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Gas	EBULLIO:UFactor:2	18
POMD	4 1	Mass density, kg/m3 ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	VIBTUB:UFactor:2	13
POMD	4 1	Mole fraction - 4 ; Gas	Mole fraction - 4; Liquid	Pressure, kPa; Gas	Gas Liquid	CHROM:UFactor:4	18
POMD	3 2	Viscosity, Pa*s ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	13
POMD	3 2	Refractive index (Na D-line) ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	13
POMD	3 2	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Gas	EBULLIO:UFactor:2	22
POMD	3 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	VISOBS:UFactor:4	8
POMD	3 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	VISOBS:UFactor:4	6
POMD	3 2	Mass density, kg/m3 ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	VIBTUB:UFactor:2	13
POMD	3 2	Mole fraction - 3 ; Gas	Mole fraction - 3; Liquid	Pressure, kPa; Gas	Gas Liquid	CHROM:UFactor:4	22
POMD	3 5	Viscosity, Pa*s ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	13
POMD	3 5	Refractive index (Na D-line) ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	13
POMD	3 5	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Gas	EBULLIO:UFactor:2	19
POMD	3 5	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	VISOBS:UFactor:4	5
POMD	3 5	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	VISOBS:UFactor:4	11
POMD	3 5	Mass density, kg/m3 ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	VIBTUB:UFactor:2	13
POMD	3 5	Mole fraction - 5 ; Gas	Mole fraction - 5; Liquid	Pressure, kPa; Gas	Gas Liquid	CHROM:UFactor:16	19

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

Phase Equilibrium and Physical Properties for the Purification of Propylene Carbonate (PC) and y-Butyrolactone (GBL)

Mathuni, T.[Tobias], Kim, J.-I.[Jae-Ik], Park, S.-J.[So-Jin]

ABSTRACT