Reevaluation of the reaction rate of H + O2 (+M) = HO2 (+M) at elevated pressures

Xueliang Yang, Wenkai Liang, Ting Tan, Chung K. Law

Research output: Contribution to journalArticle

Abstract

The rate coefficients for H + O2 (+M) = HO2 (+M) at high-pressure conditions were re-evaluated using the reported experimental shock tube data of Davidson et al. (1996), Bates et al. (2001), Shao et al. (2019) and Choudhary et al. (2019), and based on an updated mechanism of Hong et al. (2011). The major updates of the Hong et al. Mechanism compared to the originally used GRI-Mech in the works of Davidson et al. (1996) and Bates et al. (2001) were the interfering reactions of H + O2, H + HO2 and OH + HO2 as well as NOx-related reactions. After applying the updates of the elementary reaction kinetics, the revised rates of H + O2 (+M) = HO2 (+M) for Davidson et al. (1996) and Bates et al. (2001) showed improved agreement with each other, and consequently led to a more reliable Troe formula of H + O2 (+M) = HO2 (+M) with M = Ar and N2 covering the pressure range of 1–150 bar and temperature range of 300–1800 K. The new Troe formula is expected to facilitate kinetic model development and high-pressure combustion studies.

Original languageEnglish (US)
Pages (from-to)103-112
Number of pages10
JournalCombustion and Flame
Volume217
DOIs
StatePublished - Jul 2020

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Fuel Technology
  • Energy Engineering and Power Technology
  • Physics and Astronomy(all)

Keywords

  • High pressure
  • Reaction rate
  • Shock tube

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