Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement and modelling of solubility for calcium sulfate dihydrate and calcium hydroxide in NaOH/KOH solutions

Yuan, T.[Tiechui], Wang, J.[Junfeng], Li, Z.[Zhibao]
Fluid Phase Equilib. 2010, 297, 1, 129-137
ABSTRACT
The solubility of calcium sulfate dihydrate (CaSO4*2H2O) and calcium hydroxide (Ca(OH)2) in alkali solutions is essential to understand their desilication behavior from Bayer liquor. In this work, solubilities of calcium sulfate dihydrate and calcium hydroxide for the ternary systems of CaSO4*2H2O + NaOH + H2O, CaSO4*2H2O + KOH + H2O, and Ca(OH)2 + NaOH + H2O were measured by using the classic isothermal dissolution method over the temperature range of 25 to 75 deg C. The Pitzer model embedded in Aspen Plus platform was used to model the experimental solubility data for these systems. The experimental solubility data was employed to obtain the new binary interaction parameters for Ca(OH)+--OH-, Ca(OH)+--Ca2+ and Ca(OH)+--K+, suggesting that the species Ca(OH)+ is a dominant species in simulated solubility for alkali systems. Validation of the parameters was performed by predicting the solubility for the ternary systems of Ca(OH)2 + NaOH + H2O, CaSO4*2H2O + NaOH + H2O and CaSO4*2H2O + KOH + H2O with the overall average relatively deviation (ARD) of 2.12 %, 0.75 % and 1.63 %, respectively.
Compounds
# Formula Name
1 CaH4O6S calcium sulfate dihydrate
2 CaH2O2 calcium hydroxide
3 HNaO sodium hydroxide
4 HKO potassium hydroxide
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
  • 3
  • 5
  • 1
  • Mass concentration, kg/m3 - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Amount concentration (molarity), mol/dm3 - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration with EDTA
  • 30
  • POMD
  • 3
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Amount concentration (molarity), mol/dm3 - 3; Liquid
  • Ratio of mass of solute to volume of solution, kg/m3 - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 30
  • POMD
  • 4
  • 5
  • 1
  • Mass concentration, kg/m3 - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Amount concentration (molarity), mol/dm3 - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration with EDTA
  • 25
  • POMD
  • 4
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Amount concentration (molarity), mol/dm3 - 4; Liquid
  • Ratio of mass of solute to volume of solution, kg/m3 - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 25
  • POMD
  • 2
  • 3
  • 5
  • Mass ratio of solute to solvent - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Amount concentration (molarity), mol/dm3 - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 2
  • Titration with EDTA
  • 77
  • POMD
  • 2
  • 3
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Amount concentration (molarity), mol/dm3 - 3; Liquid
  • Ratio of mass of solute to volume of solution, kg/m3 - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 77