On the nature of the burning rate-controlling reaction of energetic materials for the gas-phase model

For model systems with known kinetics of elementary reactions (CH3NO2 and HN3), temperature ranges are established in which the rate-controlling reactions are the initial endothermic decomposition of the starting material or the subsequent secondary reactions. Heat release in reactions of NO2, NO, and N2O with various fuels, such as CH2O, CO, H2, and HCN, is modeled to establish the kinetic parameters and nature of the rate-controlling reactions in gas flames of nitro compounds. It is shown that the activation energy of the heat-release reaction due to the interaction of NO2 with a hydrocarbon fuel (which is characteristic of the first flame of nitro compounds) is in the range of 29–33 kcal/mole, depending on the type of fuel. According to the calculations performed, the activation energy of the rate-controlling heat-releasing process due to the deoxidation of NO and N2O (which is typical of the second flame of nitro compounds) is 43–58 kcal/mole. In the range of high pressures, where the flames merge, the kinetic parameters of heat release are determined by the reactions of the most reactive nitrogen oxide NO2.