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2 Central European Journal of Energetic Materials

2 2008

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On the Mechanism of Molecular Condensed EMs Transformation under the Effect of Shock and Detonation Waves

Dremin A. N.

Central European Journal of Energetic Materials

2008

Vol. 5, nr 1

31-44

Considerations based on available experimental data on regularities of molecular condensed EMs decomposition under the effect of shock waves of different intensities are presented. It follows from the considerations that there exist shock wave pressures p* typical for each charge (for TNT charges p* ~ 12 GPa) and the charges’ initial density ?0* (for TNT 0* ~ 1.40 g/cm3) such that at larger pressure and density EMs' decomposition proceeds according to the homogeneous mechanism (does not depend on the charge structure: initial density, size and structure of explosive particles, explosive state-liquid or solid, …) and at lower pressure and density – according to the hot spots mechanism (depends on the charge structure).

Molecular Dynamics Study of Vibrational Nonequilibrium in Detonation of Polyatomic Liquids

Smirnov A. L., Dremin A. N.

Central European Journal of Energetic Materials

2008

Vol. 5, nr 1

63-74

Energy transfer mechanisms to internal molecular degrees of freedom in shock and detonation waves in polyatomic liquids are investigated. The proposed approach uses a new version of the method of nonequilibrium molecular dynamics based on the simplest model potential energy surfaces of reacting polyatomic molecules. The main feature is adaptation of some results and approaches of gas theory to liquids. It is shown that vibrational nonequilibrium is produced by shock compression and influences on chemical reactions. So, the structure of shock and detonation waves depends strongly on the peculiarities of vibrational spectra and the structure of normal modes of compounds. Numerical simulations have been carried out for steady state detonation waves and processes of initiation of detonation by shock waves or by local heating. The results demonstrate different shock wave chemistry for substances of almost identical behaviour at static conditions.