Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase behavior and solid-liquid equilibria of aliphatic and aromatic carboxylic acid mixtures

Tamura, K.[Kazuhiro], Kasuga, T.[Tsuyoshi], Nakagawa, T.[Tomoyuki]
Fluid Phase Equilib. 2016, 420, 24-29
ABSTRACT
We newly developed an apparatus for the solid-liquid equilibrium measurements to examine the phase equilibria of carboxylic acid mixtures. The equilibrium freezing temperatures obtained from the cooling curve of the liquid state to solid were measured for the stearic acid + benzoic acid, adipic acid + benzoic acid, and p-toluic acid + benzoic acid systems. The experimental results were correlated successfully by Wilson, NRTL, and UNIQUAC models Moreover thermodynamic approach of Slaughter and Doherty was applied to represent the solid-liquid equilibria of peritectic and eutectic compound exists in the solid phase due to the reaction of complex formation. Good agreement between the experimental and calculated values for the binary carboxylic acid mixtures was obtained.
Compounds
# Formula Name
1 C6H10O4 1,6-hexanedioic acid
2 C7H6O2 benzoic acid
3 C10H8 naphthalene
4 C14H10 phenanthrene
5 C18H36O2 octadecanoic acid
6 C8H8O2 4-methylbenzoic 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.
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
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 6
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 4
  • 3
  • Eutectic temperature, K ; Crystal - 3
  • Crystal - 3
  • Crystal - 4
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 6
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 5
  • POMD
  • 2
  • 6
  • Eutectic temperature, K ; Crystal - 6
  • Crystal - 6
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • DTA
  • 9
  • POMD
  • 2
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 4
  • POMD
  • 2
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of unknown type
  • DTA
  • 2
  • POMD
  • 2
  • 1
  • Eutectic temperature, K ; Crystal - 1
  • Crystal - 1
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 9
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 4
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of unknown type
  • DTA
  • 1
  • POMD
  • 5
  • 2
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 5
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 5
  • POMD
  • 5
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 6