Thermodynamics Research Center / ThermoML | Thermochimica Acta

Kinetic analysis of solids of the quasi-autocatalytic decomposition type: SADT determination of low-temperature polymorph of AIBN

Roduit, B.[Bertrand], Hartmann, M.[Marco], Folly, P.[Patrick], Sarbach, A.[Alexandre], Dejeaifve, A.[Alain], Dobson, R.[Rowan], Kurko, K.[Ken]
Thermochim. Acta 2018, 665, 119-126
ABSTRACT
Simulations of SADT values based on the heat balance of the system are presented for azobisisobutyronitrile (AIBN). These simulations used kinetic parameters obtained from heat flow calorimetry experiments performed at temperatures in the stability range of low-temperature (L-T) polymorph of AIBN. Thermal Activity Monitor (TAM) data were collected in the range of 55 70 deg C. The simulated SADT value for L-T AIBN amounts to 46 deg C. This is very similar to the computed results obtained in the BAM project (Malow et al., 2015; Roduit et al., 2015; Moukhina, 2015; Kossoy et al., 2015) for the high-temperature (H-T) form of AIBN which amounts to 47 deg C and is also in full agreement with the large scale experimentally found SADT of AIBN (47 deg C) (Malow et al., 2015). The prerequisites for collecting proper kinetic data for the quasi-AC type energetic materials in which the phase change phenomena (polymorphic transformation or melting) precedes the decomposition are discussed. The apparent paradox when the application of incorrect kinetics applied in narrow a or T ranges may sometimes result in the correct predictions of such safety parameters, such as SADT, is also explained.
Compounds
# Formula Name
1 C8H12N4 2,2'-dimethyl-2,2'-azodipropionitrile
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 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • X-ray diffraction
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • X-ray diffraction
  • 1