Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solid-liquid equilibrium of some polycyclic aromatic hydrocarbons in wash oil

Wei, Yufeng, Zhang, Xiangyang, Zhang, Jinyan, Dang, Leping, Wei, Hongyuan
Fluid Phase Equilib. 2012, 319, 23-29
ABSTRACT
Binary phase diagrams of several polynuclear aromatic hydrocarbons in wash oil including dibenzofuran + anthracene, dibenzofuran + carbazole, acenaphthene + carbazole, acenaphthene + anthracene, fluorene + anthracene, and fluorene + carbazole have been determined by using differential scanning calorimetry (DSC). The results show that the former five systems are simple eutectic systems. The Ott empirical equation and regular solution theory were employed to correlate the solid-liquid equilibrium data. Both equations were found to represent accurately the nonideality of the liquid-phase for the five systems. It turns out that fluorene + carbazole system forms solid solution at any composition. Furthermore, the experimental data were correlated using a polynomial equation. The predicted results are also in good agreement with the experimental data.
Compounds
# Formula Name
1 C12H8O dibenzo[bd]furan
2 C13H10 fluorene
3 C12H10 acenaphthene
4 C12H9N 9H-carbazole
5 C14H10 anthracene
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
  • DTA
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 10
  • POMD
  • 5
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 3
  • POMD
  • 5
  • 1
  • Eutectic temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • plot extrapolation (enthalpy of fusion vs. molar fractions)
  • 1
  • POMD
  • 5
  • 1
  • Eutectic composition: mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • plot extrapolation (enthalpy of fusion vs. molar fractions)
  • 1
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 1
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 12
  • POMD
  • 4
  • 1
  • Eutectic temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • decreasing molar fraction of carbazole until a min ethalpy of fusion was found
  • 1
  • POMD
  • 4
  • 1
  • Eutectic composition: mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • decreasing molar fraction of carbazole until a min ethalpy of fusion was found
  • 1
  • POMD
  • 3
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 11
  • POMD
  • 3
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 3
  • POMD
  • 3
  • 4
  • Eutectic temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • plot extrapolation (enthalpy of fusion vs. molar fractions)
  • 1
  • POMD
  • 3
  • 4
  • Eutectic composition: mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • plot extrapolation (enthalpy of fusion vs. molar fractions)
  • 1
  • POMD
  • 3
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 11
  • POMD
  • 3
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 3
  • POMD
  • 3
  • 5
  • Eutectic temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • plot extrapolation (enthalpy of fusion vs. molar fractions)
  • 1
  • POMD
  • 3
  • 5
  • Eutectic composition: mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • plot extrapolation (enthalpy of fusion vs. molar fractions)
  • 1
  • POMD
  • 2
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 11
  • POMD
  • 2
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 4
  • POMD
  • 2
  • 5
  • Eutectic temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • plot extrapolation (enthalpy of fusion vs. molar fractions)
  • 1
  • POMD
  • 2
  • 5
  • Eutectic composition: mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • plot extrapolation (enthalpy of fusion vs. molar fractions)
  • 1
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Crystal
  • Pressure, kPa; Crystal
  • Liquid
  • Crystal
  • DTA
  • 14
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • DTA
  • 14