Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Determination and prediction of solid-liquid phase equilibrium for quaternary system of terephthalic acid + isophthalic acid + phthalic acid + N-methyl-2-pyrrolidone at 303.15 K and 313.15 K

Du, C.[CunBin], Han, S.[Shuo], Zhong, Y.[YunHao], Yao, G.[GanBing], Wang, J.[Jian], Zhao, H.[HongKun]
Fluid Phase Equilib. 2015, 397, 103-110
ABSTRACT
Solid-liquid phase equilibrium and solubility data for quaternary system of terephthalic acid + isophthalic acid + phthalic acid + N-methyl-2-pyrrolidone at 303.15 K and 313.15 K were determined by Schreinmakers method of wet residue under atmosphere pressure. Based on the measured solubility, the quaternary phase diagrams were constructed at the two studied temperatures according to the Janeck method. At each temperature, the quaternary phase diagram includes three crystallization regions of pure solid, three co-saturated curves and one eutectic point. The three pure solids are phthalic acid, adduct of isophthalic acid with N-methyl- 2-pyrrolidone (the mole ratio of isophthalic acid to N-methyl-2-pyrrolidone is1:2), adduct of terephthalic acid with N-methyl-2-pyrrolidone (the mole ratio of terephthalic acid to N-methyl-2-pyrrolidone is 1:2), which are confirmed by the method of Schreinemakers wet residue. The crystallization region of adduct of terephthalic acid with N-methyl-2-pyrrolidone is larger than those of phthalic acid and adduct of isophthalic acid with Nmethyl- 2-pyrrolidone. Furthermore, the quaternary solid-liquid phase equilibrium were predicted by NRTL model. The calculated quaternary phase diagrams agreed well with experimental data.
Compounds
# Formula Name
1 C8H6O4 1,3-benzenedicarboxylic acid
2 C5H9NO N-methylpyrrolidone
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
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 11
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA
  • 1