CALCULATION OF THERMOCHEMICAL AND EXPLOSIVE CHARACTERISTICS OF FUROXANES

摘要

Search of high-power energetic materials is one primary line of development ofchemical-physics of combustion and explosion.Yield of such materials is usually very small, and its cost is very high. Calculationof unknown characteristics and properties is the only way out from this situation.There're different methods today that allow calculating unknown detonationperformance and some of physicochemical properties.Examination of calculated detonation performance of furoxanes andbenzofuroxanes compounds that are not enough investigated is presented in thiswork. These compounds are new high-power energetic materials. Influence oferror in enthalpy of formation of these compounds on theirs detonationperformance is also examined in this work.Furoxanes plays particular part among energetic materials. They are convenientblocks of molecules of high-power energetic materials. Joining of explosiphoruscluster of atoms reduce to obtaining of number of high-performance compounds. Itis caused by flatten structure of furoxane ring, that provided high density andcharacterized by high and positive value of enthalpy of formation.Detonation performance of furoxanes wasn't study practically. That's why 10furoxanes have been chosen as object of study (see Nomenclature). 7 of 10 studiedfuroxanes have anomalous elemental composition, because they are hydrogen-free.In order to evaluate possible error in computational detonation performance,explosive characteristics of 6 hydrogen-free energetic materials with knownexperimental data have been calculated.