Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement and modeling for solubility of 3-hydroxybenzaldehyde and its mixture with 4-hydroxybenzaldehyde in supercritical carbon dioxide

Wu, H.[Hao], Zhu, J.[Jing], Wang, Y.[Yiwei], Chang, C.[Chengwei], Jin, J.[Junsu]
Fluid Phase Equilib. 2016, 409, 271-279
ABSTRACT
To understand the phase behavior of 3-hydroxybenzaldehyde (3-HBA) and the solubility effect of 3-HBA and its isomer 4-hydroxybenzaldehyde (4-HBA) on each other in supercritical carbon dioxide (SCCO2), the equilibrium solubility of 3-HBA and its mixture with 4-HBA, was measured in SCCO2 binary system (one solute + SCCO2) and ternary system (two solutes + SCCO2) at temperature from (308 to 328) K and pressure from (11.0 to 21.0) MPa. Comparing the solubility of 3-HBA and 4-HBA between in the binary system and ternary system, it was found that the equilibrium solubility of 3-HBA and 4-HBA was both enhanced in the ternary system due to the molecular interaction. The solubility of 3-HBA and 4-HBA in the ternary system was correlated by Chrastil, Mendez-Santiago and Teja (M-S-T), Sovova, their modified models, and Zhu et al. model. In addition, a new model was deduced and established based on the Chemistry Association Theory and verified by 636 groups of solubility data, and the correlated results indicated that the new model obtained a less deviation than other models, including the modified Chrastil model, the modified M-S-T model, the modified Sovova model, and Zhu et al. model, all of which have four adjustable parameters.
Compounds
# Formula Name
1 C7H6O2 3-hydroxybenzaldehyde
2 C7H6O2 4-hydroxybenzaldehyde
3 CO2 carbon dioxide
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
  • VISOBS
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 2
  • 3
  • Mole fraction - 1 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 1
  • Crystal - 2
  • Chromatography
  • 15
  • POMD
  • 1
  • 2
  • 3
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 1
  • Crystal - 2
  • Chromatography
  • 15