Detonation parameters of several high explosives were calculated using own chemicalequilibrium computer program named EXPLO5. The program is based on the chemical equilibrium, steady-state model of detonation. It uses the Becker-Kistiakowsky-Wilson's equation of state (BKW EOS) for gaseous detonation products and Cowan-Fickett's equation of state for solid carbon. The calculation of equilibrium composition of detonation products is done in the program by applying modified White, Johnson, and Dantzig's free energy minimisation technique. The program is designed so that it enables the calculation of detonation parameters at the CJ point, as well as parameters of state along the expansion isentrope.The paper summarises results of the calculation of the detonation parameters of several standard high explosives by EXPLO5 program, using own set of constants in the BKW equation of state, socalled BKWN set (α = 0.5, β = 0.176, κ = 14.71, and θ = 6620). It was shown in the paper that the program can be used for the calculation of detonation velocity, pressure, temperature, heat, and detonation energy with reasonable accuracy -these detonation parameters can be calculated with the error less than 10 %.

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On the basis of the steady state model of detonation, using Becker‐Kistiakowsky‐Wilson equation of state for gaseous products of detonation and Cowan‐Fickett equation of state for solid carbon, algorithm and computer program for the calculation of the detonation properties of CHNO type explosives are developed. The program has been tested by the comparison of the calculated data with experimental ones for some high explosives being of different densities and compositions. The calculated data have also been compared with data obtained by program FOR‐TRAN BK W. Both comparisons gave satisfactory agreement.

Here we report on the preparation of two hydrogen atom free 3,3'-bi(1,2,4-oxadiazole) derivatives. 5,5'-Bis(fluorodinitromethyl)-3,3'-bi(1,2,4-oxadiazole) was synthesised by fluorination of diammonium 5,5'-bis(dinitromethanide)-3,3'-bi(1,2,4-oxadiazole). For our previously reported analogue 5,5'-bis(trinitromethyl)-3,3'-bi(1,2,4-oxadiazole), a new synthetic route starting from new 3,3'-bi(1,2,4-oxadiazolyl)-5,5'-diacetic acid was developed. In this course also hitherto unknown 5,5'-dimethyl-3,3'-bi(1,2,4-oxadiazole) was isolated. The compounds were characterised by multinuclear NMR spectroscopy, IR and Raman spectroscopy, elemental analysis as well as mass spectrometry. X-ray diffraction studies were performed and the crystal structures for the 5,5'-dimethyl and 5,5'-(fluorodinitromethyl) derivatives are reported. The energetic 5,5'-(fluorodinitromethyl) and 5,5'-(trinitromethyl) compounds do not contain any hydrogen atoms and show remarkable high densities. Furthermore, the thermal stabilities and sensitivities were determined by differential scanning calorimetry (DSC) and standardised impact and friction tests. The heats of formation were calculated by the atomisation method based on CBS-4M enthalpies. With these values and the room-temperature X-ray densities, several detonation and propulsion parameters, such as the detonation velocity and pressure as well as the specific impulse of mixtures with aluminium, were computed using the EXPLO5 code.

There are great demands to develop explosives with higher performance accompanied by reduced sensitivities towards external stimuli, higher thermal stability and improved environmental acceptability. This contribution presents modified nitramines, which were investigated by nucleophilic substitution reactions of potassium salts of 5‐amino‐3‐nitro‐1,2,4‐triazole, 3,5‐dinitro‐1,2,4‐triazole, 3,5‐dinitroimidazole, 2,4‐dinitroimidazole, 4‐amino‐3,5‐dinitropyrazole, 3,5‐dinitropyrazole, 3,4‐dinitropyrazole and 3,4,5‐trinitropyrazole on 1,3‐dichloro‐2‐nitrazapropane. The energetic compounds were comprehensively characterized and their detonation parameters were calculated by the EXPLO5 code. Heats of formation were calculated by the atomization method using CBS‐4M electronic enthalpies. The presented compounds show detonation performances comparable to pentaerythritol tetranitrate (PETN). In addition, they possess high thermal stabilities and low sensitivities, which make them interesting for further investigations and possible applications as insensitive, high‐energy dense materials.