Co-agglomerated crystals of cyclic nitramines with sterically crowded molecules

Abstract

Co-crystallization of cyclic nitramines with sterically crowded molecules, i.e., ε-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (ε-CL-20) with cis-1,3,4,6-tetranitrooctahydroimidazo-[4,5-d]imidazole, is difficult, but co-agglomeration given good results.

Initiation reactivity of cyclic nitramines mixed crystals from the perspective of XPS application

“…Their characteristics were taken from the same work [15]; they are summarized in Tables 1 and 2. The cocrystal, designated as CCs1 in Tables 1 and 2, was prepared by the "solvent/antisolvent" method from the ethyl acetate/n-heptane solvent system [15]. In these CACs and in CCs1, CL20 is present in its β-form [15].…”

“…The values of detonation velocity, D, have been taken from our previous work [15], where they were calculated using the CHEETAH code [26] (for selected BKW parameters, see Supplementary Information, Section S3, and paper [15]). The enthalpies of formation, ΔH form , required for this calculation, have also been taken from [15], where they were calculated from the experimentally-determined values of the heat of combustion (see Supplementary Information, Section S5). The D and ΔH form values are summarized in Table 2.…”

“…Co-agglomerated crystals (CACs) of β-CL20/BCHMX were taken from our previous work [15], in which they were prepared by the "slurry method" (co-agglomeration in a suspension of a solvent in which the coformers are only slightly soluble -ε-CL20 is converted to its β-modi cation during this operation [15]). Their characteristics were taken from the same work [15]; they are summarized in Tables 1 and 2. The cocrystal, designated as CCs1 in Tables 1 and 2, was prepared by the "solvent/antisolvent" method from the ethyl acetate/n-heptane solvent system [15].…”

“…Impact sensitivity was tested using a BAM method in our previous work [15] employing a standard impact tester with an exchangeable anvil (Julius Peters [24]), with the amount of the tested substance being 40 mm 3 ; the detection was based on the sound effect; a drop hammer weighing 2 kg (for details, see Supplementary Information, Section S4). The sensitivity was expressed as drop energy, E dr [24], and its values are summarized in Table 2.…”

“…The above hypothesis has been tested on a group of six CACs of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12hexaazaisowurtzitane (CL20) with cis-1,3,4,6-tetranitrooctahydroimidazo- [4,5-d]imidazole (BCHMX), on both the pure nitramines, using initiation characteristics of reactivity all these compounds [15], namely impact sensitivity, electric-spark sensitivity and detonation velocity. In addition, we have also included another interesting nitramine, 1,3,5-trinitro-1,3,5-triazepane (TTAZ), in which the longest N-N bond is not a trigger bond [16].…”