Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Ternary phase diagram of phenanthrene and carbazole in different solvents and its application in the separation of them

Ding, Suping, Yin, Qiuxiang, Du, Wei, Sun, Xiaowei, Li, Guiping, Mao, Yafei, Hao, Hongxun
J. Chem. Thermodyn. 2019, 131, 431-440
ABSTRACT
The separation of phenanthrene (PHE) and carbazole (CAR) has been a tough job since the formation of solid solutions. Development of new separation strategy for PHE-CAR mixture highly depends on their phase equilibrium behaviour. In this work, ternary phase diagrams of phenanthrene (PHE) and carbazole (CAR) in dimethylformamide (DMF), acetone, acetonitrile (MeCN) and toluene at T = 308.15 K under normal atmosphere were determined through wet residue method. It was found that PHE-rich solid solution alpha was formed in the particular composition range of PHE-end. On the contrary, no CAR-rich solid solution was formed in CAR-end. These results were further verified through powder X-ray diffraction (PXRD) and differential scanning calorimetry (DSC). Based on the ternary phase diagrams, a difference coefficient of solubility (Ds) was put forward to assist screening and evaluation of solvents for solution crystallization. Among the four tested solvents, toluene is the most suitable one for separating PHE-CAR mixture.
Compounds
# Formula Name
1 C3H7NO dimethylformamide
2 C3H6O acetone
3 C2H3N acetonitrile
4 C7H8 toluene
5 C14H10 phenanthrene
6 C12H9N 9H-carbazole
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
  • 5
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 6
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • 6
  • 1
  • Mass fraction - 5 ; Liquid
  • Mass fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • Chromatography
  • 9
  • POMD
  • 5
  • 6
  • 1
  • Mass fraction - 6 ; Liquid
  • Mass fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Chromatography
  • 10
  • POMD
  • 5
  • 6
  • 2
  • Mass fraction - 5 ; Liquid
  • Mass fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • Chromatography
  • 4
  • POMD
  • 5
  • 6
  • 2
  • Mass fraction - 6 ; Liquid
  • Mass fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Chromatography
  • 10
  • POMD
  • 5
  • 6
  • 3
  • Mass fraction - 5 ; Liquid
  • Mass fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • Chromatography
  • 5
  • POMD
  • 5
  • 6
  • 3
  • Mass fraction - 6 ; Liquid
  • Mass fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Chromatography
  • 8
  • POMD
  • 5
  • 6
  • 4
  • Mass fraction - 6 ; Liquid
  • Mass fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Chromatography
  • 8
  • POMD
  • 5
  • 6
  • 4
  • Mass fraction - 5 ; Liquid
  • Mass fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • Chromatography
  • 3
  • POMD
  • 5
  • 1
  • Mass fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Chromatography
  • 1
  • POMD
  • 6
  • 1
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Chromatography
  • 1
  • POMD
  • 5
  • 2
  • Mass fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Chromatography
  • 1
  • POMD
  • 6
  • 2
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Chromatography
  • 1
  • POMD
  • 5
  • 3
  • Mass fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Chromatography
  • 1
  • POMD
  • 6
  • 3
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Chromatography
  • 1
  • POMD
  • 6
  • 4
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Chromatography
  • 1
  • POMD
  • 5
  • 4
  • Mass fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Chromatography
  • 1
  • POMD
  • 5
  • 6
  • Solid-liquid equilibrium temperature, K ; Crystal
  • Mass fraction - 5; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Liquid
  • DTA
  • 1