Thermodynamic models for determination of the solid-liquid equilibrium of 2,5-thiophenedicarboxylic acid in (acetic acid + ethanol) binary solvent mixtures
In this work, the solid-liquid equilibrium (SLE) of 2,5-thiophenedicarboxylic acid in (acetic acid + ethanol) binary solvent mixtures was explored at temperatures ranging from 283.15 K to 328.15 K under atmosphere pressure. For the temperature range investigated, the equilibrium solubility varies with the composition of the solvent and temperature. The equilibrium solubility data were then modelled using modified Apelblat equation, a variant of the combined nearly ideal binary solvent/ Redlich-Kister (CNIBS/R-K) model and Jouyban-Acree model. Computational results showed that the modified Apelblat equation and CNIBS/R-K model have the low MD (mean deviation). In addition, the thermodynamic properties of the solution process, including the Gibbs energy, enthalpy, and entropy were calculated by the van't Hoff analysis.
Compounds
#
Formula
Name
1
C6H4O4S
2,5-thiophenedicarboxylic acid
2
C2H6O
ethanol
3
C2H4O2
acetic acid
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.