• Bulletin of the Korean Chemical Society
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• v.35 no.4
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• pp.989-993
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• 2014

The molecular structures of 2,6-diaza-1,3,5,7-tetraoxaspiro[3,3]heptane (1) and its dinitro derivative, 2,6-dinitro-2,6-diaza-1,3,5,7-tetraoxaspiro[3,3]heptane (2), were fully optimized without symmetry constraints at $HF/6-31G^*$ level of theory. A bisected conformation with respect to the ring is preferred with a $C_2$ symmetric structure. The density of each molecule in the crystalline state was estimated to 1.12 and 2.36 $g/cm^3$ using PM3/VSTO-3G calculations from the molecular volume. The heat of formation was calculated for two compounds at the CBS-4M level of theory. The detonation parameters were computed using the EXPLO5 software: D = 6282 m/s, $P_{C-J}$ = 127 kbar for compound 1, D = 7871 m/s, $P_{C-J}$ = 307 kbar for compound 2, and D = 6975 m/s, $P_{C-J}$ = 170 kbar for 60% compound 2 with 40% TNT. Specific impulse of compound 1 in aluminized formulation when used as monopropellants was very similar to that of the conventional ammonium perchlorate in the same formulation of aluminum.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2017.05a
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• pp.482-488
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• 2017

Recently, weapon system has been highly regarding IM ability. Explosive is positively necessary in weapon system and it is principle component that must be improved for IM as the most hazardous material. RDX is one of energetic materials used the most at present since 1930s. It is being applied a lot to most of explosive in warhead and artillery and rocket propellants in these latter days due to its low cost and high energetic characteristics. However, it has a disadvantage which is more sensitive than some insensitive explosive like NTO, DADNE recently developed. To overcome this, researches have been continued about insensitive RDX and we are performing the study as well. In this study, we developed to apply reduced sensitivity RDX to pilot scale and mass production and we could confirm a result by shock sensitivity test.