Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Determination and modeling of solid-liquid equilibrium for ternary system of 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + methanol

Du, C. B.[Cun Bin], Han, S.[Shuo], Meng, L.[Long], Xu, J.[Jian], Wang, J.[Jian], Zhao, H. K.[Hong Kun]
Fluid Phase Equilib. 2016, 410, 31-36
ABSTRACT
The solid-liquid phase equilibrium for ternary system of 3,4-dichloronitrobenzene + 2,3- dichloronitrobenzene + methanol were determined experimentally by the method of isothermal solution saturation at temperatures of 283.15 K, 293.15 K and 303.15 K under pressure of 101.3 kPa. According to the obtained solubility data, the isothermal phase diagrams of the system were constructed. At each temperature, there were two pure solid phases formed, which were confirmed by Schreinemakers' wet residue method and corresponded to pure 3,4-dichloronitrobenzene and pure 2,3-dichloronitrobenzene. The crystallization regions of pure 3,4-dichloronitrobenzene and pure 2,3-dichloronitrobenzene increased with decreasing in temperature. The crystalline region of 2,3-dichloronitrobenzene was larger than that of 3,4-dichloronitrobenzene at the same temperature, and increased rapidly as the temperature increase. The data of solideliquid phase equilibrium were correlated with NRTL model and Wilson model. The calculated solubility data with NRTL model agreed well with the experimental values. The mutual solubility data and ternary phase diagrams for the system were of great significance for optimizing the purification procedure of 3,4-dichloronitrobenzene and 2,3-dichloronitrobenzene.
Compounds
# Formula Name
1 CH4O methanol
2 C6H3Cl2NO2 3,4-dichloro-1-nitrobenzene
3 C6H3Cl2NO2 1,2-dichloro-3-nitrobenzene
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 - 3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Chromatography
  • 26
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 16
  • POMD
  • 1
  • 3
  • Mass fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Chromatography
  • 3
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 3