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

Solid Liquid Equilibria in the Binary Systems of Saturated Fatty Acids or Triglycerides (C12 to C18) + Hexadecane

Yui, K.[Kazuko], Itsukaichi, Y.[Yasuhiro], Kobayashi, T.[Takuro], Tomoya, T.[Tsuji], Fukui, K.[Keisuke], Maeda, K.[Kouji], Kuramochi, H.[Hidetoshi]
J. Chem. Eng. Data 2017, 62, 1, 35-43
ABSTRACT
Solid-liquid equilibria (SLE) for the binary systems of C12-C18 saturated fatty acids or their triglycerides + hexadecane (systems of dodecanoic acid (lauric acid), tetradecanoic acid (myristic acid), hexadecanoic acid (palmitic acic), octadecanoic acid (stearic acid), 1,2,3-propanetriyl tridodecanoate (trilaurin), 1,2,3-propanetriyl tritetradecanoate (trimyristin), 1,2,3-propanetriyl trihexadecanoate (tripalmitin), or 1,2,3-propanetriyltrioctadecanoate (tristearin), + hexadecane) were measured in the hexadecane fractions of 0 to 1 and temperatures from (273.2 to 353.2) K, using differential scanning calorimetry. These systems were selected as model systems for blending oily content extracted from restaurant trap grease with fossil fuel oils. The obtained liquidus curves were discussed in terms of the effects of carbon chain length, chemical form, and variation in the liquid component. In addition, the experimental liquidus curves were compared with predictions based on ideal solution approximation and on the LLE-UNIFAC and Dortmund- UNIFAC models. The triglyceride and hexadecane binary systems were close to the ideal solution, while the fatty acid-hexadecane binary systems were not. The Dortmund-UNIFAC model successfully predicted all liquidus curves of the non-ideal, fatty acid-hexadecane systems.
Compounds
# Formula Name
1 C18H36O2 octadecanoic acid
2 C16H32O2 hexadecanoic acid
3 C14H28O2 tetradecanoic acid
4 C12H24O2 dodecanoic acid
5 C57H110O6 glycerol trioctadecanoate
6 C51H98O6 1,2,3-propanetriyl tri(hexadecanoate)
7 C45H86O6 1,2,3-propanetriyl tri(tetradecanoate)
8 C39H74O6 1,2,3-propanetriyl tridodecanoate
9 C16H34 hexadecane
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
  • 1
  • POMD
  • 1
  • 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
  • 2
  • 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
  • 3
  • 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
  • 4
  • 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
  • 5
  • 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
  • 6
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 7
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 7
  • 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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 9
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 9
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 14
  • POMD
  • 1
  • 9
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 9
  • DTA
  • 1
  • POMD
  • 9
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 14
  • POMD
  • 9
  • 5
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Crystal - 9
  • DTA
  • 1
  • POMD
  • 2
  • 9
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 13
  • POMD
  • 2
  • 9
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 9
  • DTA
  • 1
  • POMD
  • 9
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • DTA
  • 13
  • POMD
  • 9
  • 6
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Crystal - 9
  • DTA
  • 1
  • POMD
  • 3
  • 9
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 13
  • POMD
  • 3
  • 9
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Crystal - 9
  • DTA
  • 1
  • POMD
  • 9
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • DTA
  • 14
  • POMD
  • 9
  • 7
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Crystal - 9
  • DTA
  • 1
  • POMD
  • 4
  • 9
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 11
  • POMD
  • 4
  • 9
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Crystal - 9
  • DTA
  • 1
  • POMD
  • 8
  • 9
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 8
  • DTA
  • 14
  • POMD
  • 8
  • 9
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 8
  • Crystal - 9
  • DTA
  • 1