Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Differential scanning calorimetry determination of Solid-Liquid equilibria phase diagrams for binary monocarboxylic acids solutions

Noshadi, Sajjad, Sadeghi, Rahmat
Fluid Phase Equilib. 2019, 486, 1-10
ABSTRACT
In this work, solid-liquid equilibria of the binary monocarboxylic acid mixtures: formic acid + acetic acid, formic acid + propionic acid, formic acid + butyric acid, formic acid + pentanoic acid, acetic acid + propionic acid, acetic acid + butyric acid, acetic acid + pentanoic acid, propionic acid + butyric acid, propionic acid + pentanoic acid and butyric acid + pentanoic acid have been measured by the differential scanning calorimetry (DSC) method at atmospheric pressure. The experimental results indicated that all the binary systems present a eutectic point in their respective phase diagrams, which were obtained experimentally. Solvent activities have also been determined from the freezing point depression of the monocarboxylic acids. Furthermore, the activity coefficients of two components in the liquid phase have been satisfactorily correlated by the Wilson and nonrandom two-liquid (NRTL) models. The results show that for all ten binary mixtures, the best correlations of the solid-liquid equilibrium data were obtained when employing the NRTL model. Finally, the results obtained have been discussed based on the interactions that exist in these solutions.
Compounds
# Formula Name
1 CH2O2 formic acid
2 C2H4O2 acetic acid
3 C3H6O2 propanoic acid
4 C4H8O2 butanoic acid
5 C5H10O2 pentanoic 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
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 12
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 18
  • POMD
  • 2
  • 3
  • Eutectic composition: mole fraction - 2 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 3
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 2
  • 3
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 3
  • DTA
  • 1
  • POMD
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 21
  • POMD
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 16
  • POMD
  • 4
  • 2
  • Eutectic composition: mole fraction - 2 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Crystal - 2
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 4
  • 2
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 4
  • DTA
  • 1
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 15
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 12
  • POMD
  • 1
  • 2
  • Eutectic composition: mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 2
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 1
  • 2
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 2
  • DTA
  • 1
  • POMD
  • 1
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 10
  • POMD
  • 1
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 7
  • POMD
  • 1
  • 4
  • Eutectic composition: mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 4
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 1
  • 4
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 4
  • DTA
  • 1
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 10
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 18
  • POMD
  • 1
  • 3
  • Eutectic composition: mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 3
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 1
  • 3
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 3
  • DTA
  • 1
  • POMD
  • 1
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 5
  • POMD
  • 1
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 19
  • POMD
  • 1
  • 5
  • Eutectic composition: mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 5
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 1
  • 5
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 5
  • DTA
  • 1
  • POMD
  • 4
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 12
  • POMD
  • 4
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 23
  • POMD
  • 4
  • 5
  • Eutectic composition: mole fraction - 4 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Crystal - 5
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 4
  • 5
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Crystal - 5
  • DTA
  • 1
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 9
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 17
  • POMD
  • 4
  • 3
  • Eutectic composition: mole fraction - 3 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Crystal - 3
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 4
  • 3
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Crystal - 3
  • DTA
  • 1
  • POMD
  • 3
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 13
  • POMD
  • 3
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 8
  • POMD
  • 3
  • 5
  • Eutectic composition: mole fraction - 3 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Crystal - 5
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 3
  • 5
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Crystal - 5
  • DTA
  • 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
  • 25
  • POMD
  • 2
  • 5
  • Eutectic composition: mole fraction - 2 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 5
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 2
  • 5
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 5
  • DTA
  • 1