Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and prediction of (solid + liquid) equilibria of (alkanediamine + biphenyl) mixtures

Khimeche, K.[Kamel], Dahmani, A.[Abdallah]
J. Chem. Thermodyn. 2006, 38, 10, 1192-1198
ABSTRACT
Diamines represent, besides many technically important classes of substance, a particularly interesting family of molecules for the purpose of testing group-contribution models. A differential scanning calorimetry (DSC) was used to determine binary (solid + liquid) phase equilibria for {diamines NH2-(CH2)n- NH2 (n = 6,8,9, and 12) + biphenyl} mixtures. Results obtained with this technique are compared with those predicted by modified UNIFAC (Larsen and Gmehling) and DISQUAC models. It was found out that all the systems are eutectic and deviations were observed between experimental and predicted SLE.
Compounds
# Formula Name
1 C8H20N2 1,8-diaminooctane
2 C9H22N2 1,9-diaminononane
3 C12H28N2 1,12-dodecanediamine
4 C12H10 biphenyl
5 C6H16N2 1,6-hexanediamine
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 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal 1
  • Crystal 1
  • 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
  • 4
  • 1
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 4
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 4
  • Crystal - 4
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA:UFactor:4
  • 13
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA:UFactor:4
  • 8
  • POMD
  • 4
  • 2
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 4
  • 2
  • Eutectic composition: mole fraction - 2 ; Crystal - 4
  • Crystal - 4
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • PHASDIA::
  • 1
  • POMD
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA:UFactor:4
  • 19
  • POMD
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:UFactor:4
  • 7
  • POMD
  • 4
  • 3
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 4
  • 3
  • Eutectic composition: mole fraction - 3 ; Crystal - 4
  • Crystal - 4
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • PHASDIA::
  • 1
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA:UFactor:4
  • 10
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA:UFactor:4
  • 10
  • POMD
  • 4
  • 5
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 5
  • Liquid
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 4
  • 5
  • Eutectic composition: mole fraction - 5 ; Crystal - 4
  • Crystal - 4
  • Crystal - 5
  • Liquid
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 4
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA:UFactor:4
  • 10
  • POMD
  • 4
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA:UFactor:4
  • 6