Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and calculation of solid liquid equilibrium for ternary systems of 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + ethanol/n-propanol

Li, R.[Rongrong], Han, S.[Shuo], Du, C.[Cunbin], Meng, L.[Long], Wang, J.[Jian], Zhao, H.[Hongkun]
J. Chem. Thermodyn. 2016, 98, 140-148
ABSTRACT
The stable (solid + liquid) phase equilibrium in ternary systems of 3,4-dichloronitrobenzene + 2,3- dichloronitrobenzene + ethanol and 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + n-propanol at three temperatures were determined by means of an isothermal solution saturation method under pressure p = 101.2 kPa. The isothermal phase diagrams of the two ternary systems were plotted on the basis of the experimental mutual solubility data. The equilibrium solids formed in the two systems were identified by Schreinemakers method of wet residues. It was found that each phase diagram included one co-saturated point, two co-saturated curves and three crystallization zones in the ternary systems of 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + ethanol and 3,4-dichloronitrobenzene + 2,3- dichloronitrobenzene + n-propanol. Two pure solid phases were formed in the studied systems, which were pure 2,3-dichloronitrobenzene and pure 3,4-dichloronitrobenzene. The crystallization zone of 3,4-dichloronitrobenzene was smaller than that of 2,3-dichloronitrobenzene at a given temperature, which showed that 2,3-dichloronitrobenzene could be easily separated from the solution. Furthermore, the solid liquid phase diagrams were calculated by using NRTL model. The calculated phase diagrams agreed well with the experimental ones. Knowledge of (solid + liquid) phase equilibrium and ternary phase diagrams would be very valuable to design and optimize the solvent crystallization process of 2,3-dichloronitrobenzene and other crystallization processes involving the two ternary systems.
Compounds
# Formula Name
1 C6H3Cl2NO2 3,4-dichloro-1-nitrobenzene
2 C6H3Cl2NO2 1,2-dichloro-3-nitrobenzene
3 C2H6O ethanol
4 C3H8O propan-1-ol
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
  • 1
  • 2
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 23
  • POMD
  • 3
  • 1
  • 2
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 3
  • 1
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 1
  • Chromatography
  • 3
  • POMD
  • 3
  • 1
  • 2
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 1
  • Chromatography
  • 3
  • POMD
  • 4
  • 1
  • 2
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 25
  • POMD
  • 4
  • 1
  • 2
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 13
  • POMD
  • 4
  • 1
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 1
  • Chromatography
  • 3
  • POMD
  • 4
  • 1
  • 2
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 1
  • Chromatography
  • 3