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

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Abstract

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.

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Data availability

The datasets generated during and/or analyzed during the current study are available from the corresponding author on reasonable request.

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Acknowledgements

The authors would like to thank F. Weng from Tsinghua University and the SPARK development team for assistance in developing the required code to carry out this work. This work was funded by the King Abdullah University of Science and Technology through the baseline Fund BAS/1/1396-01-01.

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Authors and Affiliations

  1. Mechanical Engineering Programme, Physical Science and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900, Saudi Arabia

    J. Vargas & D. A. Lacoste

  2. KAUST Clean Combustion Research Center, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia

    J. Vargas & D. A. Lacoste

  3. Center for Combustion Energy, School of Vehicle and Mobility, Safety and Energy State Key Laboratory for Automotive, Tsinghua University, 30 Shuang Qing Road, Beijing, 100084, China

    R. Mével

  4. Instituto de Plasmas e Fusão Nuclear Instituto Superior Técnico, Av. Rovisco Pais 1, Lisboa, 1049-001, Portugal

    M. Lino da Silva

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  1. J. Vargas
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Vargas, J., Mével, R., Lino da Silva, M. et al. Development of a steady detonation reactor with state-to-state thermochemical modeling. Shock Waves 32, 679–689 (2022). https://doi.org/10.1007/s00193-022-01105-2

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