Thermodynamics Research Center, ThermoML : Journal of Chemical and Engineering Data

Solid-Liquid Equilibrium of Binary Systems Containing Fatty Acids and Fatty Alcohols Using Differential Scanning Calorimetry

Sosa, F. H. B.[Filipe Hobi Bordon], Carareto, N. D. D.[Natalia Daniele Dorighello], Maximo, G. J.[Guilherme Jose], Meirelles, A. J. d. A.[Antonio Jose de Almeida], Costa, M. C.[Mariana Conceicao]
J. Chem. Eng. Data 2019, 64, 12, 5017-5027
ABSTRACT
Fatty alcohol and fatty acid compounds are responsible for some significant characteristics of pharmaceuticals, cosmetics and food products, such as texture and stability. The knowledge of the solid-liquid equilibrium (SLE) behavior of such mixtures is necessary to enhance production processes as well as to upgrade their home and industrial usage. In this study, the SLE phase diagrams of five binary mixtures composed by fatty alcohols and fatty acids namely 1-dodecanol, 1-tetradecanol, 1-hexadecanol, lauric acid, myristic acid, and palmitic acid were determined using differential scanning calorimetry (DSC). Polarized light microscopy was used to complement the characterization of phase diagrams which have shown a complex global behavior with eutectic and peritectic points as well as solid solution formation. The SLE data were fitted using the Margules 2-suffix and 3-suffix, UNIFAC and, UNIFAC Dortmund models. The modeling approach using the 3-suffix Margules equation was that best represented the experimental data.
Compounds
# Formula Name
1 C10H20O2 decanoic acid
2 C12H24O2 dodecanoic acid
3 C14H28O2 tetradecanoic acid
4 C16H32O2 hexadecanoic acid
5 C18H36O2 octadecanoic acid
6 C14H30O 1-tetradecanol
7 C16H34O 1-hexadecanol
8 C12H26O dodecan-1-ol
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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 6
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 6
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 7
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 7
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 8
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 8
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 8
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 6
  • POMD
  • 8
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA
  • 3
  • POMD
  • 8
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 8
  • DTA
  • 2
  • POMD
  • 8
  • 2
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Crystal - 8
  • DTA
  • 1
  • POMD
  • 8
  • 2
  • Peritectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Crystal - 2
  • DTA
  • 1
  • POMD
  • 6
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 7
  • POMD
  • 6
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA
  • 1
  • POMD
  • 6
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • DTA
  • 3
  • POMD
  • 6
  • 3
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Crystal - 6
  • DTA
  • 1
  • POMD
  • 6
  • 3
  • Peritectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Crystal - 3
  • DTA
  • 1
  • POMD
  • 8
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 5
  • POMD
  • 8
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA
  • 2
  • POMD
  • 8
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 8
  • DTA
  • 4
  • POMD
  • 8
  • 1
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Crystal - 8
  • DTA
  • 1
  • POMD
  • 8
  • 1
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Crystal - 1
  • DTA
  • 1
  • POMD
  • 7
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 6
  • POMD
  • 7
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • DTA
  • 3
  • POMD
  • 7
  • 5
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Crystal - 7
  • DTA
  • 1
  • POMD
  • 8
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 10
  • POMD
  • 8
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 8
  • DTA
  • 1
  • POMD
  • 8
  • 4
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Crystal - 8
  • DTA
  • 1