Calculation of Thermochemical and Explosive
Characteristics of Furoxanes



Ilya ZHUKOV and Georgii D. KOZAK

Mendeleev University of Chemical Technology of Russia,
9 Miusskaya Sq., 125190 Moscow, Russia

Abstract: Search of high-power energetic materials is one primary line of
development of chemical physics of combustion and explosion.
Yield of such materials is usually very small, and its cost is very high. Calculation
of unknown characteristics and properties is the only way out from this situation.
There are different methods today that allow calculating unknown detonation
performance and some of physicochemical properties.
Examination of calculated detonation performance of furoxanes and benzofuroxanes
compounds that are not enough investigated is presented in this work. These
compounds are new high-power energetic materials. Influence of error in enthalpy
of formation of these compounds on their detonation performance is also examined
in this work.
Furoxanes plays particular part among energetic materials. They are convenient
blocks of molecules of high-power energetic materials. Joining of explosiphorus
clusters of atoms are lead to obtaining of number of high-performance compounds.
It is caused by flatten structure of furoxane ring, that lead to high density of
compounds and are characterized by high and positive value of enthalpy of
Detonation performance of furoxanes was not study practically. That is why 10
furoxanes have been chosen as object of study (see Nomenclature). 7 of 10 studied
furoxanes have anomalous elemental composition, because they are hydrogenfree.
In order to evaluate possible error in computational detonation performance,
explosive characteristics of 6 hydrogen-free energetic materials with known
experimental data have been calculated.

Keywords: furoxanes, benzofuroxanes, high-power energetic materials,
heat of detonation, detonation velocity, detonation pressure

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