Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic modelling of high salinary phosphate solutions. I. Binary systems

Scharge, T., Munoz, A. G., Moog, H. C.
J. Chem. Thermodyn. 2013, 64, 249-256
ABSTRACT
A comprehensive set of interaction parameters for the thermodynamic modelling of (PO4)3- , (HPO4)2- and (H2PO4)- in concentrated solutions in the Na-K-Cl-SO4-H2O system at 25[deg]C was calculated by regression of experimental isopiestic and solubility data with the Pitzer formalism. The isopiestic method was used to generate additional sets of activity data, which complete and improve the statistical quality of data extracted from an extensive literature review. Thermodynamic properties of phosphate phases were calculated. In this first part, binary systems are presented.
Compounds
# Formula Name
1 HNa2O4P disodium hydrogen phosphate
2 H2NaO4P sodium dihydrogen phosphate
3 HK2O4P dipotassium hydrogen phosphate
4 H2KO4P monopotassium phosphate
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
  • 5
  • (Relative) activity - 5 ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Isopiestic method
  • 15
  • POMD
  • 2
  • 5
  • (Relative) activity - 5 ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Isopiestic method
  • 11
  • POMD
  • 5
  • 3
  • (Relative) activity - 5 ; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Isopiestic method
  • 25
  • POMD
  • 5
  • 4
  • (Relative) activity - 5 ; Liquid
  • Molality, mol/kg - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Isopiestic method
  • 19