Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Partial molar volume of NaCl and CsCl in mixtures of water and methanol by experiment and molecular simulation

Kohns, M.[Maximilian], Horsch, M.[Martin], Hasse, H.[Hans]
Fluid Phase Equilib. 2018, 458, 30-39
ABSTRACT
Densities of solutions of NaCl and CsCl in mixtures of water and methanol are determined by experiment and molecular dynamics simulation. Both experiments and simulations cover the concentration range up to the solubility limit of the salt in the temperature range 288.15 .LE. T /K .LE. 318.15 at ambient pressure. Non-polarizable molecular models from the literature are used for the ions and solvents. The partial molar volume of the salts at infinite dilution in the mixed solvent is determined from an empirical correlation of the data. The mixed solvent effects on the density and the partial molar volumes of the salts are well predicted by the molecular models.
Compounds
# Formula Name
1 CH4O methanol
2 H2O water
3 ClNa sodium chloride
4 ClCs cesium chloride
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
  • 3
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Crystal - 3
  • Vibrating tube method
  • 175
  • POMD
  • 4
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Crystal - 4
  • Vibrating tube method
  • 115
  • POMD
  • 3
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Crystal - 3
  • Vibrating tube method
  • 35
  • POMD
  • 3
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Crystal - 3
  • Vibrating tube method
  • 35
  • POMD
  • 4
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Crystal - 4
  • Vibrating tube method
  • 30
  • POMD
  • 4
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Crystal - 4
  • Vibrating tube method
  • 20