Features of the Inhibition of Hydrogen-Air Mixtures by Propylene Additive

IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
A. A. Belyaev, B. S. Ermolaev
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Abstract

Small additions of hydrocarbons, such as propylene, which are widely studied as combustion and explosion inhibitors of hydrogen-air mixtures, sometimes exhibit specific properties. The known mechanism of the inhibitory effect of these additives is associated with the intensification of the termination of branching chains due to the addition of hydrogen atoms; however, conditions also exist in which these compounds, instead of inhibiting, have a neutral and even promoting effect. Such conditions and the reasons leading to the fact that inhibition is practically absent have not yet been studied. This article shows the results of numerical modeling, which make it possible to more fully outline the range of conditions where the addition of propylene practically does not inhibit hydrogen-air mixtures and outline possible reasons for this effect. The solution to three model problems is presented: self-ignition in a constant-volume reactor, laminar flame propagation, and gas ignition with a heated wire. The calculations are carried out with the detailed kinetic mechanism of chemical reactions NUIGMech 1.1 (2020). The objects of the study are three air mixtures containing hydrogen in amounts of 15, 29.6, and 50 vol % (lean, stoichiometric, and rich mixtures, respectively) without additives and with the addition of 1% propylene.

Abstract Image

Abstract Image

丙烯添加剂抑制氢气-空气混合物的特点
摘要作为氢气-空气混合物的燃烧和爆炸抑制剂而被广泛研究的丙烯等碳氢化合物的小添加物有时会表现出特殊性质。这些添加剂产生抑制作用的已知机理与氢原子的加入加剧了支链的终止有关;然而,也存在这样的情况,即这些化合物非但没有抑制作用,反而具有中性甚至促进作用。目前尚未对这些条件以及导致几乎不存在抑制作用的原因进行研究。本文展示了数值建模的结果,从而可以更全面地概述添加丙烯实际上不会抑制氢气-空气混合物的条件范围,并概述产生这种效果的可能原因。文中介绍了三个模型问题的解决方案:恒定容积反应器中的自燃、层流火焰传播以及使用加热丝的气体点火。计算使用了详细的化学反应动力学机制 NUIGMech 1.1 (2020)。研究对象是含氢量分别为 15、29.6 和 50 Vol %(分别为贫氢、化学计量氢和富氢混合物)的不含添加剂和添加 1% 丙烯的三种空气混合物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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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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