Energetic Materials Database

A substituted triazaadamantane, 2,4,10-trinitro-2,4,10-triazaadaman-tane, was made a few years ago by Nielsen [18J. Its synthesis showed that a methine (CH) surrounded by nitramines in an adamantane cage is chemically stable, a matter that had previously been the subject of debate. There are four such groupings in HNZADA. Otheivvise. the local connections are much the same as in HMX and RDX. Molecular mechanics model-building shows that the nitramines are no more crowded than in HMX and RDX, so there is reason to expect that this target molecule will not be especially sensitive or readily subject to chemical deterioration. 

An extension of the hypothetical HNZADA is the nonanitraza-targei cage compound shown in Fig. 5. This hypothetical compound has the same 

An example of a large amino bend (44.6 ) is shown by monoketo RDX (191 illustrated in Fig. 7. The carbonyl group has the effect of flattening the 

A quantum chemical calculation [23] (using the program MNDO) on ttinitroazetidine (see Fig. 10) also indicated that a sizeable out-of-plane anuno bend (30°) was the minimum energy conformation. This observation stimulated another MNDO calculation [24] on a simple model compound, 

It is of interest to note here that a correlation exists between the C-N-C angle and the out-of-plane amino bend (see Fig. 12). There is also an inihcatioa of a trend toward incxeaang values of the N-N bond distance Nrith increasing values of the out-of-plane amino bend, although individual values are widely distributed as shown in Fig. 13. 

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The weakest bonds in an explosive will often determine its sensitivity to impact and such bonds are usually present in the explosophoric groups. Steric and electronic factors also play an important role. Unsurprisingly, factors which increase explosive performance usually have a detrimental effect on stability and sensitivity, and so a compromise must be made. As the database of energetic materials and their properties is ever increasing this task becomes... 

One of the most difficult parts of this problem is accurately describing the equation of state of the fluid components. Despite its simplicity and lack of rigorous derivation, the Becker-Kistiakowski-Wilson (BKW) is used in many practical energetic material applications. There have been a number of different parameter sets proposed for the BKW EOS [5-8]. Kury and Souers [9] have critically reviewed these equations of state by comparing their predictions to a database of detonation tests. They... 

The experimental database generated thus far includes completed accelerating rate calorimetry runs of neat energetic materials and runs of a mixture of tetrytol in a 30 weight percent solution of NaOH (Bishop, 2000). The results of these experiments are intended to provide a better understanding of the controls necessary to prevent runaway reactions. It would be premature for the committee to draw conclusions based on the limited results available so far. 

The overall goal of experiments with energetic materials is to establish a correlation between the behaviors and the properties of the materials. Analysis of the extensive database on energetic materials has led to correlations between both combustion behaviors (i.e. bum rates and detonation velocities) and sensitivities and the properties of the materials. The material properties that have been or can be correlated with behaviors of energetic materials in order of more detailed effects are heat content... 

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