Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Phase Equilibrium Study of the AlCl3 CaCl2 H2O System for the Production of Aluminum Chloride Hexahydrate from Ca-Rich Flue Ash

Wang, J.[Junfeng], Petit, C.[Camille], Zhang, X.[Xiangping], Cui, S.[Shian]
J. Chem. Eng. Data 2016, 61, 1, 359-369
ABSTRACT
The study of the solid liquid phase equilibrium for the AlCl3 CaCl2 H2O system is of significance to separate aluminum chloride hexahydrate from the leachate obtained by the reaction of Ca-rich fly ash and a waste hydrochloride from chemical plant. The phase equilibrium data for the binary AlCl3 H2O system and the ternary AlCl3 CaCl2 H2O system over the temperature range from 278.15 K to 363.15 K were measured. A rigorous and thermodynamically consistent model representing the AlCl3 CaCl2 H2O system developed on the basis of the Pitzer s activity coefficient model embedded in the Aspen Plus. On the basis of this, the phase behavior of the ternary AlCl3 CaCl2 H2O system at different temperatures was visualized with lucidity on an equilateral triangle. The phase-equilibrium diagram generated by modeling was illustrated to identify the course of crystallization to recover AlCl3*6H2O from the solutions containing calcium chloride. All of these will provide a thermodynamic basis for the separation of aluminum chloride from calcium chloride solutions.
Compounds
# Formula Name
1 AlCl3 aluminum chloride
2 H2O water
3 CaCl2 calcium 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
  • 1
  • 2
  • Molality, mol/kg - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • atomic emission spectroscopy
  • 15
  • POMD
  • 1
  • 2
  • 3
  • Molality, mol/kg - 3 ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • atomic emission spectroscopy
  • 10
  • POMD
  • 1
  • 2
  • 3
  • Molality, mol/kg - 1 ; Liquid
  • Molality, mol/kg - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 2
  • atomic emission spectroscopy
  • 151
  • POMD
  • 1
  • 2
  • 3
  • Molality, mol/kg - 3 ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 3
  • atomic emission spectroscopy
  • 9
  • POMD
  • 1
  • 2
  • 3
  • Molality, mol/kg - 3 ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 3
  • atomic emission spectroscopy
  • 15
  • POMD
  • 2
  • 3
  • Molality, mol/kg - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 3
  • atomic emission spectroscopy
  • 3
  • POMD
  • 2
  • 3
  • Molality, mol/kg - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 2
  • atomic emission spectroscopy
  • 3
  • POMD
  • 2
  • 3
  • Molality, mol/kg - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • atomic emission spectroscopy
  • 5