Thermodynamics Research Center / ThermoML | International Journal of Thermophysics

Study of (Solid Liquid) Phase Equilibria for Mixtures of Energetic Material Stabilizers and Prediction for Their Subsequent Performance

Trache, D.[Djalal], Khimeche, K.[Kamel], Dahmani, A.[Abdallah]
Int. J. Thermophys. 2013, 34, 2, 226-239
ABSTRACT
Solid-liquid equilibria for three binary mixtures of 2-nitrodiphenylamine (1) + diphenylamine (2), ethyl centralite (1) + N-ethyl-4-nitro-N-nitrosoaniline (2), and 2,2 ' -dinitrodiphenylamine (1) + N-ethyl-4-nitro-N-nitrosoaniline (2) were measured using a differential scanning calorimeter. Simple eutectic behaviors for these systems were observed. The experimental results were correlated by means of original and modified NRTL, Wilson, and UNIQUAC equations. The root mean square deviations of the solubility temperatures for all measured data vary from 0.63 K to 3.73 K and depend on the particular model used. The best solubility correlation was obtained with the UNIQUAC model.
Compounds
# Formula Name
1 C12H9N3O4 bis(2-nitrophenyl)amine
2 C8H9N3O3 N-nitroso-N-ethyl-4-nitroaniline
3 C12H11N diphenylamine
4 C17H20N2O 1,3-diethyl-1,3-diphenylurea
5 C12H10N2O2 2-nitrodiphenylamine
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
  • 5
  • 3
  • Eutectic temperature, K ; Crystal - 5
  • Crystal - 5
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • 3
  • Eutectic composition: mole fraction - 5 ; Crystal - 5
  • Crystal - 5
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 5
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA:UFactor:2
  • 8
  • POMD
  • 5
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA:UFactor:2
  • 15
  • POMD
  • 4
  • 2
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • 2
  • Eutectic composition: mole fraction - 4 ; Crystal - 4
  • Crystal - 4
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:UFactor:2
  • 17
  • POMD
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA:UFactor:2
  • 6
  • POMD
  • 2
  • 1
  • Eutectic temperature, K ; Crystal - 1
  • Crystal - 1
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 1
  • Crystal - 1
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:UFactor:2
  • 7
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA:UFactor:4
  • 17