Development of a steady detonation reactor with state-to-state thermochemical modeling

In recent years, several studies have been dedicated to modeling of detonations including assumptions of thermal non-equilibrium. Modeling using two-temperature models has shown that non-equilibrium affects detonation dynamics. However, the deployment of state-to-state models, one of the foremost non-equilibrium modeling tools, in detonation modeling remains under-explored. In this work, we detail the implementation of a STS model of \({\hbox {N}_{2}}\) and \({\hbox {O}_{2}}\) in a Zel’dovich–von Neumann–Döring reactor for a mixture of \({\hbox {H}_{2}}\)–air. Certain modifications to the usual theory and models must be performed before the deployment of aforementioned model, namely in the thermodynamics formulation. Additionally, since most codes are not compatible with STS models, a validation of an in-house code is carried out against CHEMKIN. Results indicate that the multi-temperature approach adopted in earlier works is likely not appropriate to model the internal distribution function of \({\hbox {O}_{2}}\) and therefore should be used with caution. A comparison of an estimated cell width with experimental values confirms the potential of the STS framework for a more accurate detonation modeling.