@article{3f16af5dfe994823b5044a0a6202d6de,
title = "Reevaluation of the reaction rate of H + O2 (+M) = HO2 (+M) at elevated pressures",
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.",
keywords = "High pressure, Reaction rate, Shock tube",
author = "Xueliang Yang and Wenkai Liang and Ting Tan and Law, {Chung K.}",
note = "Funding Information: This research was sponsored by the Air Force Office of Scientific Research (AFOSR) under the technical monitoring of Dr. Mitat Birkan. This research used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. It is a pleasure to thank Professor R.K. Hanson of Stanford University for his comments on an earlier draft of this manuscript. XY acknowledges the sponsorship of MPG for his research visits to Princeton University. We also acknowledge the contribution on the Troe formula fitting by Mr. Albert Wang, a high school student, during his summer internship at Princeton University. Funding Information: This research was sponsored by the Air Force Office of Scientific Research (AFOSR) under the technical monitoring of Dr. Mitat Birkan . This research used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231 . It is a pleasure to thank Professor R.K. Hanson of Stanford University for his comments on an earlier draft of this manuscript. XY acknowledges the sponsorship of MPG for his research visits to Princeton University. We also acknowledge the contribution on the Troe formula fitting by Mr. Albert Wang, a high school student, during his summer internship at Princeton University. Publisher Copyright: {\textcopyright} 2020 The Combustion Institute",
year = "2020",
month = jul,
doi = "10.1016/j.combustflame.2020.03.018",
language = "English (US)",
volume = "217",
pages = "103--112",
journal = "Combustion and Flame",
issn = "0010-2180",
publisher = "Elsevier Inc.",
}