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Numerical simulation of the gas-phase thermal decomposition and the detonation of H2O2/H2O mixtures

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Abstract

The present study revisited the kinetics of the thermal decomposition and the detonation of H2O2/H2O mixtures in the presence and absence of catalysts aiming to apply in the aerospatial industry. Properties important for the design and optimization of propellant systems, like adiabatic decomposition temperature (Tad), decomposition delay time, Chapman-Jouget velocities, and specific impulses, have been evaluated. Also, aspects related to H2O2 chemistry and its application as a monopropellant are discussed. Three kinetic models were used, and, when appropriate, corrections due to nonideal behavior were included from the Redlich-Kwong equation of state. The modifications due to nonideal behavior can change the calculation of decomposition delay up to 30%. The outcomes show that in the presence or not of catalyst, Tad and specific impulse are maximized at 100% of H2O2. The flow analysis showed that the OH and HO2 radicals are the most important propagators of the thermal decomposition mechanism. For ignition purposes, any proposed catalyst should maximize the concentration of these species during the reaction. The comparison between the simulated burning velocities with the experimental values showed that the modifications proposed in the literature improve the calculation of this property. Regarding the catalysts, SiO2 and Pt are the most prominent since they predict the higher values of adiabatic decomposition temperatures and specific impulse.

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The authors thanks to FAPERJ for the financial support of this study.

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Authors and Affiliations

  1. Departamento de Química e Ambiental, Faculdade de Tecnologia, Universidade do Estado do Rio de Janeiro, Resende, Brazil

    Amanda Farias de Ferreira Miranda & Leonardo Baptista

  2. Departamento de Química Fundamental, Instituto de Química, Universidade Federal Rural do Rio de Janeiro, Seropédica, Brazil

    Glauco Favilla Bauerfeldt

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  1. Amanda Farias de Ferreira Miranda
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  2. Glauco Favilla Bauerfeldt
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Correspondence to Leonardo Baptista.

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de Ferreira Miranda, A.F., Bauerfeldt, G.F. & Baptista, L. Numerical simulation of the gas-phase thermal decomposition and the detonation of H2O2/H2O mixtures. Reac Kinet Mech Cat 135, 619–637 (2022). https://doi.org/10.1007/s11144-022-02161-6

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