A. M. Tereza, G. L. Agafonov, E. K. Anderzhanov, A. S. Betev, S. P. Medvedev, V. N. Mikhalkin, S. V. Khomik, T. T. Cherepanova
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Abstract
Numerical simulations of autoignition of lean (6% H2), stoichiometric, and rich (90% H2) hydrogen–air mixtures have been performed to examine the influence of third-body efficiency (chaperon efficiency, CE) on the value of ignition delay, τ. The temperature ranges explored in the computations are 850–1000 K for P0 = 1 bar and 1000–1200 K for P0 = 6 bar. By using a detailed kinetic mechanism, it has been found that the sensitivity of ignition delay to CE is the highest for the reaction step H + O2 + M = HO2 + M, which can lead to a variation in τ by a factor of 2 to 3. A pressure increase or deviation from stoichiometry reduces the sensitivity. The influence of CE is qualitatively different and weaker for the reaction step OH + OH + M = H2O2 + M.
期刊介绍：
Russian Journal of Physical Chemistry B: Focus on Physics is a journal that publishes studies in the following areas: elementary physical and chemical processes; structure of chemical compounds, reactivity, effect of external field and environment on chemical transformations; molecular dynamics and molecular organization; dynamics and kinetics of photoand radiation-induced processes; mechanism of chemical reactions in gas and condensed phases and at interfaces; chain and thermal processes of ignition, combustion and detonation in gases, two-phase and condensed systems; shock waves; new physical methods of examining chemical reactions; and biological processes in chemical physics.
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