2012Chinese Journal of Energetic MaterialsRequires access

Empirical Calculation of the Explosion Parameters of Nitrodiazole Explosives

Yuanjie Shu

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Abstract

New polynitroimidazole explosive molecules were designed using 2,4,5-trinitroimidazole as matrix structural unit. The explosion parameters of designed explosives were calculated by Brinkley-Wilson(B-W) rule for predicting explosion decomposition products, Rothsteine′s method for estimating detonation velocity and Kamlet method for estimating C-J pressure. And the calculated detonation parameters were compared with those of RDX and HMX explosives. Results show that the designed explosives are a new class of high energy density material compounds with high density, detonation velocity and detonation pressure approaching to that of RDX even HMX. As imidazole ring in the molecules, having aromacity, the stability of these explosives molecules designed is favorable for potential application.

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What this paper is about

New polynitroimidazole explosive molecules were designed using 2,4,5-trinitroimidazole as matrix structural unit. The explosion parameters of designed explosives were calculated by Brinkley-Wilson(B-W) rule for predicting explosion decomposition products, Rothsteine′s method for estimating detonation velocity and Kamlet method for estimating C-J pressure. And the calculated detonation parameters were compared with those of RDX and HMX explosives. Results show that the designed explosives are a new class of high energy density material compounds with high density, detonation velocity and detonation pressure approaching to that of RDX even HMX. As imidazole ring in the molecules, having aromacity, the stability of these explosives molecules designed is favorable for potential application.

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Available abstract

New polynitroimidazole explosive molecules were designed using 2,4,5-trinitroimidazole as matrix structural unit. The explosion parameters of designed explosives were calculated by Brinkley-Wilson(B-W) rule for predicting explosion decomposition products, Rothsteine′s method for estimating detonation velocity and Kamlet method for estimating C-J pressure. And the calculated detonation parameters were compared with those of RDX and HMX explosives. Results show that the designed explosives are a new class of high energy density material compounds with high density, detonation velocity and detonation pressure approaching to that of RDX even HMX. As imidazole ring in the molecules, having aromacity, the stability of these explosives molecules designed is favorable for potential application.

Key concepts: Explosive material, Detonation, Detonation velocity, Molecule, Energetic material, Materials science, Decomposition, Chemistry

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