Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Development of a thermodynamic model for the Li2CO3-NaCl-Na2SO4-H2O system and its application

Wang, Junfeng, Wu, Xiaowang, Zhang, Suojiang
J. Chem. Thermodyn. 2018, 123, 62-73
ABSTRACT
The study of the solid-liquid phase equilibrium for the Li2CO3-NaCl-Na2SO4-H2O system is of significance to separate lithium from the mother liquor obtained by the reaction of lithium chloride/lithium sulfate and sodium carbonate. The phase equilibrium data for the binary system of Li2CO3-H2O, the ternary systems of Li2CO3-NaCl-H2O and Li2CO3-Na2SO4-H2O, and the quaternary system of Li2CO3-NaCl-Na2SO4-H2O over the temperature range from 283.15 K to 363.15 K were measured. Based on the Pitzer 's model embedded in the Aspen PlusTM, the phase equilibrium data for the systems of NaCl-H2O, Na2SO4-H2O and NaCl-Na2SO4-H2O taken from literatures were firstly predicted to verify the applicability of parameters from the default database and literatures. Subsequently, besides the solubility of Li2CO3 in water at different temperatures, the values for the systems of Li2CO3-NaCl-H2O and Li2CO3-Na2SO4-H2O at 298.15 K and 343.15 K were correlated, and then the obtained parameters can well predict the phase equilibrium data for the systems of Li2CO3-NaCl-H2O, Li2CO3-Na2SO4-H2O Li2CO3-NaCl-Na2SO4-H2O at T = (313.15, 323.15 or 363.15) K. Through the rigorous thermodynamic model representing the Li2CO3-NaCl-Na2SO4-H2O system developed, the phase diagram of the ternary Li2CO3-NaCl-H2O system at T = (298.15, 343.15 or 363.15) K visualized with lucidity, and the course of crystallization to produce Li2CO3 from the mother liquor was illustrated. All of these will provide a thermodynamic basis for the separation of lithium from mother liquor and optimization of Li2CO3 production process.
Compounds
# Formula Name
1 CLi2O3 lithium carbonate
2 Na2O4S sodium sulfate
3 ClNa sodium chloride
4 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
  • 4
  • Molality, mol/kg - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • atomic emission spectroscopy ICP-AES and ion chromatography ICS-3000
  • 10
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 10
  • POMD
  • 1
  • 3
  • 4
  • Molality, mol/kg - 1 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • atomic emission spectroscopy ICP-AES and ion chromatography ICS-3000
  • 50
  • POMD
  • 1
  • 3
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 3; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 50
  • POMD
  • 1
  • 3
  • 4
  • Molality, mol/kg - 3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • atomic emission spectroscopy ICP-AES and ion chromatography ICS-3000
  • 5
  • POMD
  • 1
  • 2
  • 4
  • Molality, mol/kg - 1 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • atomic emission spectroscopy ICP-AES and ion chromatography ICS-3000
  • 43
  • POMD
  • 1
  • 2
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 43