The Role of Third-Body Collision Efficiency in Autoignition of Hydrogen–Air Mixtures

IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Russian Journal of Physical Chemistry B Pub Date : 2024-09-11 DOI:10.1134/s1990793124700416
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.

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第三体碰撞效率在氢气-空气混合物自燃中的作用
摘要 对贫氢(6% H2)、化学计量和富氢(90% H2)氢气-空气混合物的自燃进行了数值模拟,以研究第三体效率(合子效率,CE)对点火延迟值τ的影响。计算中探讨的温度范围为:P0 = 1 巴时为 850-1000 K,P0 = 6 巴时为 1000-1200 K。通过使用详细的动力学机制,我们发现在 H + O2 + M = HO2 + M 的反应步骤中,点火延迟对 CE 的敏感性最高,可导致 τ 变化 2 到 3 倍。对于反应步骤 OH + OH + M = H2O2 + M,CE 的影响在性质上有所不同,而且较弱。
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来源期刊
Russian Journal of Physical Chemistry B
Russian Journal of Physical Chemistry B 化学-物理:原子、分子和化学物理
CiteScore
2.20
自引率
71.40%
发文量
106
审稿时长
4-8 weeks
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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