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

Influence of Additives (Isoamyl Laurate or Isoamyl Nonanoate) in the Solid-Liquid Equilibrium of Fatty Acid Ethyl Esters

Bessa, Larissa Castello Branco Almeida, Robustillo, Maria Dolores, Silva, Erica Corina da, Tadini, Carmen Cecilia, Meirelles, Antonio Jose de Almeida, Filho, Pedro de Alcantara Pessoa
J. Chem. Eng. Data 2019, 64, 5, 2062-2074
ABSTRACT
Solid liquid equilibrium data of binary mixtures of fatty acid ethyl esters present in biodiesel, namely, ethyl laurate, ethyl palmitate, ethyl myristate, ethyl stearate, and ethyl oleate, and fatty esters of branched-chain alcohols used as additives (isoamyl laurate and isoamyl nonanoate) were obtained through differential scanning calorimetry. Most of these systems presented eutectic behavior, except for the system ethyl laurate + isoamyl laurate, which presented peritectic transition. Equilibrium data were thermodynamically modeled either using two different liquid-phase activity coefficient models or considering that the liquid phase is an ideal mixture. Best correlations were observed for the Flory Huggins equation, but good agreement between calculated and experimental data was also obtained when using both the ideal and UNIFAC Dortmund models.
Compounds
# Formula Name
1 C14H28O2 ethyl dodecanoate
2 C18H36O2 ethyl hexadecanoate
3 C16H32O2 ethyl tetradecanoate
4 C20H40O2 ethyl octadecanoate
5 C20H38O2 ethyl (Z)-9-octadeceneoate
6 C14H28O2 isopentyl nonanoate
7 C17H34O2 isopentyl dodecanoate
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
  • Triple point temperature, K ; 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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 6
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 7
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 7
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 10
  • POMD
  • 1
  • 6
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 6
  • DTA
  • 1
  • POMD
  • 1
  • 7
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Crystal - 7
  • DTA
  • 1
  • POMD
  • 1
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 4
  • POMD
  • 1
  • 7
  • Peritectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Crystal - 1
  • DTA
  • 1
  • POMD
  • 1
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA
  • 2
  • POMD
  • 1
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • DTA
  • 4
  • POMD
  • 3
  • 6
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Crystal - 6
  • DTA
  • 1
  • POMD
  • 3
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 11
  • POMD
  • 3
  • 7
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Crystal - 7
  • DTA
  • 1
  • POMD
  • 3
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 9
  • POMD
  • 2
  • 6
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 6
  • DTA
  • 1
  • POMD
  • 2
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 11
  • POMD
  • 2
  • 7
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 7
  • DTA
  • 1
  • POMD
  • 2
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 10
  • POMD
  • 4
  • 6
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Crystal - 6
  • DTA
  • 1
  • POMD
  • 4
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 10
  • POMD
  • 4
  • 7
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Crystal - 7
  • DTA
  • 1
  • POMD
  • 4
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 10
  • POMD
  • 5
  • 6
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Crystal - 6
  • DTA
  • 1
  • POMD
  • 5
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 9
  • POMD
  • 5
  • 7
  • Eutectic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Crystal - 7
  • DTA
  • 1
  • POMD
  • 5
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 5
  • POMD
  • 5
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • DTA
  • 5