Prediction of concentration of toxic gases produced by detonation of commercial explosives by thermochemical equilibrium calculations

An adverse effect resulting from explosive mine blasts is the production of toxic nitrogen oxides (NO and NO₂) and carbon monoxide (CO). The empirical measurements of the concentration of toxic gases showed that it depends not only on the composition of an explosive and properties of its ingredients but also on several other parameters, such as volume of blasting chamber, explosive charge mass and design, confinement characteristics, surrounding atmosphere, etc. That explains why measured concentrations of toxic gases reported in literature significantly differ.In this paper, we discuss the possibility of theoretical prediction of the concentration of toxic gases by thermochemical equilibrium calculation applying two models: ideal detonation model and deflagration model. It can be demonstrated that thermochemical calculations can provide a good estimation of the measured concentrations and reproduce experimentally obtained effects of additives on the production of toxic gases. It was also found that the ideal detonation model applies to heavily confined explosive charges, while the deflagration model is more suitable for low detonation velocity explosives with light confinement.