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

Thermodynamic Models for Determination of the Solubility of the (1:1) Complex of (Urea + l-Malic Acid) in (Methanol + Acetonitrile) Binary Solvent Mixtures

Zhang, Q.[Qi], Hu, Y.[Yonghong], Yang, Y.[Yang], Cao, C.[Cuicui], Cheng, L.[Limin], Li, Y.[Yonglan], Yang, W.[Wenge]
J. Chem. Eng. Data 2015, 60, 6, 1608-1613
ABSTRACT
In this paper, we focused on solubility and solution thermodynamics of urea l-malic acid (1:1 solid state compound). By gravimetric method, the solubility of urea l-malic acid was measured in (methanol + acetonitrile) binary solvent mixtures in the temperature (from 278.15 K to 333.15 K). The solubility data were fitted using modified Apelblat model, a variant of the combined nearly ideal binary solvent/Redlich Kister (CNIBS/R K) model and Jouyban Acree equation. Computational results showed that the modified Apelblat model has advantages than the other two models. In addition, we used van t Hoff analysis and Gibbs equation to help later scholars understand the thermodynamic properties in the process of dissolving. The experimental data showed that acetonitrile could be used as effective antisolvents.
Compounds
# Formula Name
1 C5H10N2O6 urea (S)-2-hydroxysuccinate
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
  • 2
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 96
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 12
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 12