ABSTRACT

A model for salty water-acetonitrile mixtures at 298,15 K was proposed based on three different contributions: chemical, physical and electrostatical. The first two were accomplished by ERAS-Model and the third was achieved by analyzing several proposals: Debye-Huckel, Hepler and a modified ERAS-model. In order to test the model values, densities for the mixtures were measured with a vibrating-tube densimeter and the excess molar volumes were determined. The salts molar concentrations varied from 0,001 to 0,004, covering the entire composition range for water-acetonitrile. For each system, the three model approaches were applied. The modified ERAS model provides the best results.

Compounds

#	Formula	Name
1	H2O	water
2	C2H3N	acetonitrile
3	C4H6CaO4	calcium acetate
4	C2H3KO2	potassium ethanoate
5	C8H20BrN	tetraethylammonium bromide
6	ClLi	lithium chloride
7	C24H20BNa	sodium tetraphenylboron

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 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calculated with densities of this investigation	6
POMD	3 2 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 3; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calculated with densities of this investigation	25
POMD	3 2 1	Mass density, kg/m3 ; Liquid	Mole fraction - 3; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	25
POMD	2 4 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 4; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calculated with densities of this investigation	65
POMD	2 4 1	Mass density, kg/m3 ; Liquid	Mole fraction - 4; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	68
POMD	5 2 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 5; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calculated with densities of this investigation	139
POMD	5 2 1	Mass density, kg/m3 ; Liquid	Mole fraction - 5; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	139
POMD	2 6 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 6; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calculated with densities of this investigation	98
POMD	2 6 1	Mass density, kg/m3 ; Liquid	Mole fraction - 6; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	98
POMD	2 7 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 7; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calculated with densities of this investigation	56
POMD	2 7 1	Mass density, kg/m3 ; Liquid	Mole fraction - 7; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	56

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

A model for excess volumes of salty water-acetonitrile mixtures at 298.15 K

Morrone, S. R., Francesconi, A. Z.

ABSTRACT