Abstract:In order to understand the thermal decomposition characteristics of 3,4-Bis(3-nitrofurazan-4-yl)furoxan (DNTF), the thermal decomposition reaction of DNTF at 300-4000K temperature programmed and constant temperature of 2000K, 2500K, 3000K, 3500K and 4000K was simulated by ab initio computational molecular dynamics method. The thermal decomposition mechanism of DNTF at different temperatures was analyzed from the aspects of product evolution, cluster, potential energy curve and reaction path. The analysis of pr… Show more
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