Reevaluation of the reaction rates of H+O2

Abstract

The rate coefficients of H+O2=O+OH (R1) were reevaluated using the reported shock tube experimental data from Ryu et al. (1995), Yuan et al. (1991), Masten et al. (1991) and Hong et al. (2011) based on our latest kinetic mechanism [Xueliang Yang et al., Journal of Physical Chemistry A, 2021, 125, 10223–10234]. The statistical analysis using weighted average and weighted least-square regression was performed by applying the updates on specific rates and corresponding uncertainties. The chain-termination reaction of H+O2(+M)=HO2(+M) (R2) was reevaluated as well. New rate formulae of R1 and R2 were derived and incorporated back into the mechanism. The validation demonstrates the updated mechanism has good performance against the measurements such as mass burning rate and ignition delay time at broad range of initial conditions.