ABSTRACT

To obtain osmotic coefficients, a classic static-view apparatus was used to measure the difference between the vapor pressure of a solvent and that of its salt solution at 25 .deg.C. Vapor-pressure lowering was measured for solutions containing a lithium salt (LiCl, LiBr, LiNO3, LiPF6 and LITFSI) dissolved in a non-aqueous solvent (dimethyl carbonate, dimethyl sulfoxide and acetonitrile) that may be used in a lithium-ion battery. The osmotic-coefficient data are represented by Archer's extended Pitzer equation. Mean ionic activity coefficients for the salts are calculated from the osmotic-coefficient data.

Compounds

#	Formula	Name
1	ClLi	lithium chloride
2	BrLi	lithium bromide
3	LiNO3	lithium nitrate
4	C2F6LiNO4S2	lithium bis((trifluoromethyl)sulfonyl)amide
5	F6LiP	lithium hexafluorophosphate
6	C2H3N	acetonitrile
7	C3H6O3	dimethyl carbonate
8	C2H6OS	dimethyl sulfoxide
9	ClNa	sodium chloride
10	H2O	water
11	Hg	mercury
12	C16H22O4	dibutyl phthalate

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	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Pycnometric method	1
POMD	6	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Manometric method	1
POMD	7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Pycnometric method	1
POMD	7	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Manometric method	1
POMD	8	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Pycnometric method	1
POMD	8	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Manometric method	1
POMD	11	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Pycnometric method	1
POMD	12	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Pycnometric method	1
POMD	9 10	Vapor or sublimation pressure, kPa ; Liquid	Molality, mol/kg - 9; Liquid	Temperature, K; Liquid	Liquid Gas	Manometric method	11
POMD	2 6	Vapor or sublimation pressure, kPa ; Liquid	Molality, mol/kg - 2; Liquid	Temperature, K; Liquid	Liquid Gas	Manometric method	15
POMD	5 6	Vapor or sublimation pressure, kPa ; Liquid	Molality, mol/kg - 5; Liquid	Temperature, K; Liquid	Liquid Gas	Manometric method	18
POMD	4 6	Vapor or sublimation pressure, kPa ; Liquid	Molality, mol/kg - 4; Liquid	Temperature, K; Liquid	Liquid Gas	Manometric method	14
POMD	5 7	Vapor or sublimation pressure, kPa ; Liquid	Molality, mol/kg - 5; Liquid	Temperature, K; Liquid	Liquid Gas	Manometric method	18
POMD	4 7	Vapor or sublimation pressure, kPa ; Liquid	Molality, mol/kg - 4; Liquid	Temperature, K; Liquid	Liquid Gas	Manometric method	17
POMD	2 8	Vapor or sublimation pressure, kPa ; Liquid	Molality, mol/kg - 2; Liquid	Temperature, K; Liquid	Liquid Gas	Manometric method	13
POMD	1 8	Vapor or sublimation pressure, kPa ; Liquid	Molality, mol/kg - 1; Liquid	Temperature, K; Liquid	Liquid Gas	Manometric method	10
POMD	3 8	Vapor or sublimation pressure, kPa ; Liquid	Molality, mol/kg - 3; Liquid	Temperature, K; Liquid	Liquid Gas	Manometric method	9

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Osmotic and activity coefficients for five lithium salts in three non-aqueous solvents

Xin, Nan, Sun, Yanjun, Radke, Clayton J., Prausnitz, John M.

ABSTRACT