Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic models for determination of the solubility of dibenzothiophene in (methanol + acetonitrile) binary solvent mixtures

Zhang, Q.[Qi], Yang, Y.[Yang], Cao, C.[Cuicui], Cheng, L.[Limin], Shi, Y.[Ying], Yang, W.[Wenge], Hu, Y.[Yonghong]
J. Chem. Thermodyn. 2015, 80, 7-12
ABSTRACT
In this paper, we focused on solubility and solution thermodynamics of dibenzothiophene. By the gravimetric method, the solubility of dibenzothiophene was measured in (methanol + acetonitrile) binary solvent mixtures at temperatures from (278.15 to 333.15) K under atmosphere pressure. The solubility data were fitted using a modified Apelblat equation, a variant of the combined nearly ideal binary solvent/Redich Kister (CNIBS/R K) model and Jouyban Acree model. Computational results showed that the modified Apelblat equation was superior to the other two equations. In addition, the thermodynamic properties of the solution process, including the Gibbs free energy, enthalpy, and entropy, were calculated by the van t Hoff analysis. The experimental results showed that methanol could be used as effective antisolvents in the crystallization process.
Compounds
# Formula Name
1 C12H8S dibenzothiophene
2 CH4O methanol
3 C2H3N acetonitrile
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric Method
  • 96
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric Method
  • 12
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric Method
  • 12