Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solid-liquid equilibrium of binary and ternary systems formed by ethyl laurate, ethyl palmitate and dodecylcylohexane: Experimental data and thermodynamic modeling

Robustillo, M. D.[Maria Dolores], Almeida Meirelles, A. J. d.[Antonio Jose de], Filho, P. d. A. P.[Pedro de Alcantara Pessoa]
Fluid Phase Equilib. 2016, 409, 157-170
ABSTRACT
The solid-liquid equilibrium diagrams of binary and ternary mixtures formed by dodecylcyclohexane and the fatty acid esters ethyl laurate and ethyl palmitate was determined herein. The liquidus and solidus lines were obtained through differential scanning calorimetry. The thermograms of pure compounds were resolved into the corresponding overlapping peak components by a fitting analysis, allowing a better estimation of phase-change properties of polymorphs. All binary systems show immiscibility in the solid phase, although those containing dodecylcyclohexane present small regions of partial miscibility. The system formed by ethyl palmitate and dodecylcyclohexane presents a peritectic transition, which was also observed in the ternary system. The thermodynamic modeling was conducted using different models for liquid-phase non-ideality and considering different polymorphs in solid phase. The modeling shows that a probable inversion of polymorphs relative stability occurs for the binary system formed by ethyl laurate and dodecylcyclohexane. The results from this work may contribute to enhancing the understanding and description of the complex behavior of biodiesel/diesel mixtures at low temperatures.
Compounds
# Formula Name
1 C14H28O2 ethyl dodecanoate
2 C18H36O2 ethyl hexadecanoate
3 C18H36 dodecylcyclohexane
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
  • 1
  • 3
  • Eutectic temperature, K ; Crystal - 1
  • Crystal - 1
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • 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
  • 3
  • POMD
  • 2
  • 3
  • Eutectic temperature, K ; Crystal of intercomponent compound 1
  • Crystal of intercomponent compound 1
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • 3
  • Eutectic temperature, K ; Crystal of intercomponent compound 1
  • Crystal of intercomponent compound 1
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 15
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 5
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA
  • 3