Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Solid-Liquid Equilibrium of Binary Fatty Acid Mixtures

Costa, M. C.[Mariana C.], Rolemberg, M. P.[Marlus P.], Boros, L. A. D.[Laslo A. D.], Krahenbuhl, M. A.[Maria A.]
J. Chem. Eng. Data 2007, 52, 1, 30-36
ABSTRACT
In the present work the phase diagrams of seven fatty acid binary mixtures were obtained by differential scanning calorimetry (DSC). These mixtures were formed by capric acid (C10:0) with lauric acid (C12:0), myristic acid (C14:0), palmitic acid (C16:0), or stearic acid (C18:0) and by lauric acid (C12:0) with myristic acid (C14:0), palmitic acid (C16:0), or stearic acid (C18:0). The spline technique was used to compare the results of this work with prior results available in the literature for some of the investigated systems. The occurrence of the eutectic point in all systems and of the peritectic point in some of the systems was observed. The occurrence of the peritectic point can be associated with the difference in the number of carbon atoms of the fatty acid chains used in the mixture. The approach suggested by Slaughter and Doherty (Chem. Eng. Sci. 1995, 50, 1679-1694) was used to model the solid phase, and the liquid phase was modeled using the Margules-2-suffix, Margules-3-suffix, UNIFAC Dortmund, and NRTL models. The best modeling results were obtained using the Margules-3-suffix with an average deviation between experimental and calculated values of 0.14 %.
Compounds
# Formula Name
1 C10H20O2 decanoic acid
2 C12H24O2 dodecanoic acid
3 C14H28O2 tetradecanoic acid
4 C16H32O2 hexadecanoic acid
5 C18H36O2 octadecanoic 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
  • DTA:UFactor:3
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:3
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:3
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:3
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:3
  • 1
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA:UFactor:3
  • 4
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Crystal - 2
  • Pressure, kPa; Crystal - 2
  • Liquid
  • Crystal - 2
  • DTA:UFactor:3
  • 7
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Crystal - 1
  • Pressure, kPa; Crystal - 1
  • Liquid
  • Crystal - 1
  • DTA:UFactor:3
  • 4
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA:UFactor:3
  • 2
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA:UFactor:3
  • 8
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Crystal - 1
  • Pressure, kPa; Crystal - 1
  • Liquid
  • Crystal - 1
  • DTA:UFactor:3
  • 4
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA:UFactor:3
  • 11
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA:UFactor:3
  • 3
  • POMD
  • 5
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA:UFactor:3
  • 10
  • POMD
  • 5
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA:UFactor:3
  • 2
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA:UFactor:3
  • 3
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA:UFactor:3
  • 6
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:UFactor:3
  • 3
  • POMD
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA:UFactor:3
  • 2
  • POMD
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA:UFactor:3
  • 7
  • POMD
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:UFactor:3
  • 3
  • POMD
  • 5
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA:UFactor:3
  • 10
  • POMD
  • 5
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:UFactor:3
  • 3