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Nitro Groups vs. N-Oxide Linkages: Effects Upon Some Key Determinants of Detonation Performance

Politzer P., Murray J. S.

Central European Journal of Energetic Materials

2017

Vol. 14, no. 1

3--25

Increasing the nitrogen/carbon ratios in the molecular frameworks of C,H,N,O explosives has attracted considerable attention because it tends to result in more positive heats of formation and often greater densities. In conjunction with this, there has been a growing interest in N-oxide linkages, N+ → O−, as another source of oxygen in these compounds, in addition to or even possibly replacing NO2 groups. In this study, for a series of polyazines and polyazoles, we have compared the effects of introducing a single N-oxide linkage or NO2 group upon key properties that affect detonation velocity and detonation pressure. We found that: (1) The heats of formation per gram of compound, which is what is relevant for this purpose, are almost always higher for the N-oxides. (2) The nitro derivatives have greater densities and detonation heat releases. In relation to the latter, it must be kept in mind that increasing detonation heat release tends to be accompanied by increasing sensitivity. (3) The N-oxides produce more moles of gaseous detonation products per gram of compound.

The Role of Product Composition in Determining Detonation Velocity and Detonation Pressure

Politzer P., Murray J. S.

Central European Journal of Energetic Materials

2014

Vol. 11, no. 4

459--474

Four sets of rules for predicting the detonation product compositions of explosives have been investigated: the Kamlet-Jacobs, the KistiakowskyWilson, the modified Kistiakowsky-Wilson and the Springall-Roberts. These can result, for a given compound, in significantly differing detonation products and amounts of heat release. However the resulting detonation velocities D and detonation pressures P obtained for the compound using the Kamlet-Jacobs equations are generally quite similar, with the Kamlet-Jacobs rules leading to the D and P that are, on average, closest to the experimental. The fact that the variations among the D and P values are relatively small can be attributed to a balancing of opposing effects relating to the quantities of gaseous products and the heat releases. Accordingly, obtaining reasonable accuracy for D and P does not necessarily imply corresponding accuracy for the product composition and heat release that were used. The analysis presented explains the observations that D and P can be correlated with loading density alone, even though product compositions are known to change with density.