Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Chemical engineering process simulation of brines using phase diagram and Pitzer model of the system CaCl2SrCl2H2O

Li, Dan, Meng, Lingzong, Guo, Yafei, Deng, Tianlong, Yang, Lan
Fluid Phase Equilib. 2019, 484, 232-238
ABSTRACT
The phase equilibria of the system CaCl2SrCl2H2O at 288.15 K were investigated with the isothermal dissolution equilibrium method. The Pitzer model for system CaCl2SrCl2H2O from 288.15 K to 373.15 K was constructed by combining the results from the literature. In the model for the ternary system, the solid solution formed at low temperatures was considered as ideal solid solution and the temperature dependence equations for the mixing parameters thetaCa,Sr and psiCa,Sr,Cl were built over the temperature range 288.15-373.15 K. The model for mixed system gives a very good agreement with the experimental solubility data presented in this work and those in the literature. The phase diagram and Pitzer model were then used to conduct computer simulation of brine separation. The separation process route was demonstrated at single temperature 288.15 K and multiple temperatures. The salts SrCl2*6H2O and CaCl2*6H2O with high purity were separated from the brine by re-crystallization method with the model at 288.15 K. The salts SrCl2*H2O and CaCl2*6H2O were also separated from the solution at 288.15 K and 323.15 K.
Compounds
# Formula Name
1 CaCl2 calcium chloride
2 Cl2Sr strontium chloride
3 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
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Mass fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 12
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Mass fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 2
  • Titration method
  • 1
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Mass fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 3
  • Titration method
  • 1