Estimation of basic characteristics for some energetic polynitrogen compounds

摘要

Basing on earlier developed schemes for physical and chemical characteristics estimation, the enthalpies of formation, molecular crystals densities, detonation parameters, as well as sensitivity to different kinds of impact have been calculated. More than twenty compounds were investigated and some of them seem to be rather effective. Among them there are about ten powerful explosives (e.g. dinitrodifuroxanyl, octanutrocubane, CL-20, azanitro-furazan, etc.), explosives-oxidizers (such as AND & bis(difluroamine-dinitroethil)nitroamine) and some hypothetic compounds (not synthesized yet) such as oc-taazacubane, octaazatetraen, tetranitrotetraazacubane etc. Energetic properties of the compounds were estimated for individual substances (acting as explosives or monopropellants), as well as for energetic compositions containing these compounds together with other ones, that are necessary for providing the requested parameters.