Thermodynamics Research Center / ThermoML | Thermochimica Acta

Thermal behavior of 1,3,5-trinitroso-1,3,5-triazinane and its melt-castable mixtures with cyclic nitramines

Zeman, S.[Svatopluk], Yan, Q.-L.[Qi-Long], Gozin, M.[Michael], Zhao, F.-Q.[Feng-Qi], Akstein, Z.[Zbynek]
Thermochim. Acta 2015, 615, 51-60
ABSTRACT
Mixtures of 1,3,5-trinitroso-1,3,5-triazinane (TMTA) with 1,3,5-trinitro-1,3,5-triazinane (RDX), cis-1,3,4,6-tetranitro-octahydroimidazo-[4,5-d]imidazole (BCHMX) and ?-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20), respectively, have been investigated by DSC and TGA techniques. It has been found that there are two endothermic peaks at about 96 deg C and 107 deg C, due to polymorphic transition and melting of TMTA, whereas only small endothermic peaks were observed in the temperature region of 92.8 95.0 deg C for mixtures of RDX-TMTA, BCHMX-TMTA and CL-20-TMTA. These differences in exothermic temperatures of the pristine TMTA versus its mixtures could be a result of co-crystals formation. Moreover, only one complex step for decomposition of TMTA and RDX-TMTA was observed, while at least two steps were found for BCHMX-TMTA and CL-20-TMTA mixtures. TGA measurements showed that a mass loss of TMTA begins at 89.3 deg C and has a peak temperature of 185.9 deg C. In contrast, the mass loss of RDX-TMTA mixture begins at 142.9 deg C and has a peak temperature of 227.6 deg C, evidently showing a behavior of a single compound. On the other hand, the activation parameters for the first step decomposition of the BCHMX-TMTA (2.355 J g-1) and CL-20-TMTA mixtures were found to be very close to that of TMTA (1.320 J g-1), strongly indicating that most probably TMTA undergoes decomposes during the first decomposition steps of these mixtures.
Compounds
# Formula Name
1 C3H6N6O6 1,3,5-triaza-1,3,5-trinitrocyclohexane
2 C3H6N6O3 1,3,5-trinitroso-1,3,5-triazacyclohexane
3 C6H6N12O12 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane
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
  • DTA:UFactor:4
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DTA:UFactor:4
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:4
  • 1
  • POMD
  • 3
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DTA:UFactor:4
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC:UFactor:4
  • 1