ABSTRACT

Alkyl carbonate and g-butyrolactone (GBL) are attractive organic electrolyte materials that are stable over a wide range of operating voltages and ethylene sulfite (ES) is used as a supplementary film-forming electrolyte additive for lithium ion batteries (LIBs). This paper reports the solid-liquid phase equilibrium (SLE) data and the thermo-physical mixture properties such as the density, refractive index, excess and deviation properties for organic liquid electrolyte solutions of carbonate-based or GBL electrolytes containing ES. The SLE data were correlated with two activity coefficient models: NRTL and UNIQUAC. In addition, the extent to which the excess volume (VEP and molar refraction deviation (DR) of each of the binary systems correlated with the values calculated using the Redlich-Kister polynomial equations was determined.

Compounds

#	Formula	Name
1	C3H6O3	dimethyl carbonate
2	C4H8O3	ethyl methyl carbonate
3	C3H4O3	ethylene carbonate
4	C2H4O3S	1,3,2-dioxathiolane, 2-oxide
5	C4H6O2	.gamma.-butyrolactone

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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Phase equilibration	1
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Phase equilibration	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	3	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Phase equilibration	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	4	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Phase equilibration	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	5	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Phase equilibration	1
POMD	1 4	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	Phase equilibration	6
POMD	1 4	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Phase equilibration	8
POMD	1 4	Mass density, kg/m3 ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	11
POMD	1 4	Refractive index (Na D-line) ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	11
POMD	2 4	Mole fraction - 2 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	Phase equilibration	9
POMD	2 4	Mole fraction - 2 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	Phase equilibration	5
POMD	2 4	Mass density, kg/m3 ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	11
POMD	2 4	Refractive index (Na D-line) ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	11
POMD	3 4	Mole fraction - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	Phase equilibration	6
POMD	3 4	Mole fraction - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	Phase equilibration	12
POMD	3 4	Mass density, kg/m3 ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	11
POMD	3 4	Refractive index (Na D-line) ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	11
POMD	5 4	Mole fraction - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	Phase equilibration	8
POMD	5 4	Mole fraction - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	Phase equilibration	5
POMD	5 4	Mass density, kg/m3 ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	11
POMD	5 4	Refractive index (Na D-line) ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	11

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solid-liquid equilibria and thermo-physical properties of liquid electrolyte systems for lithium ion batteries

Oh, H. Y.[Ha Young], Gu, J.-E.[Ji-Eun], Park, S.-J.[So-Jin]

ABSTRACT