Numerical study of detonation transmission in mixtures containing chemical inhibitors

Abstract

In this article, we report on numerical simulations of the evolution of gaseous detonation waves in mixtures that contain chemical inhibitors. In general, these are compounds that consume the radicals that are produced during combustion, thereby inhibiting the exothermic chain-terminating reaction. Also, some of them participate in endothermic reactions, such as dissociation. These properties make them very efficient flame suppressants. In this study, we employ a chemical kinetics model that consists of a three-step chain-branching mechanism for the fuel combustion and a one-step mechanism for the reaction between inhibitor and radicals. Results from both one- and two-dimensional simulations are presented and discussed. It is shown that radical consumption and heat absorption due to the inhibitor's reaction result in longer induction zones. This, in turn, leads to a detachment of the reaction zone from the precursor shock. For small and medium inhibitor concentrations, this detachment is temporary. Eventually, the radical concentration behind the induction zone becomes sufficient to initiate rapid fuel consumption, thus producing pressure waves which reach the precursor shock and re-ignite the detonation. This is followed by large over-pressures and highly irregular oscillations of the shock. Nonetheless, sufficiently high inhibitor concentrations can yield permanent detonation quenching.