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S2 + Air Combustion: Reaction Kinetics, Flame Structure, and Laminar Flame Behavior
Energy & Fuels ( IF 5.2 ) Pub Date : 2018-06-15 00:00:00 , DOI: 10.1021/acs.energyfuels.8b01019
N. Sebbar 1 , T. Zirwes 2 , P. Habisreuther 1 , J. W. Bozzelli 3 , H. Bockhorn 1 , D. Trimis 1
Affiliation  

The paper presents a study on the combustion of S2 over a wide range of air/fuel ratios, employing numerical flame calculations, including a sulfur/oxygen reaction mechanism; reaction zone structures as well as the corresponding laminar burning velocities are reported. The numerical simulations are based on a detailed reaction mechanism derived from a H/O/S combustion mechanism from the literature after removing all reactions of hydrogen-containing species. Using reaction rate coefficients from the literature in the calculations brings about burning velocities in the order of magnitude of 300 cm s–1 at T0 = 373 K and under stoichiometric conditions. Sensitivity analysis of the computed results identified which reaction rate has crucial influence on the burning velocity and flame structure. It turned out that the sensitivity coefficients of burning velocity with respect to the rate coefficient of reaction S + O2 → SO + O are by far the largest sensitivity coefficients. Further investigations have been performed on the basis of different values of the rate constant of reaction S + O2 → SO + O taken from the literature and from our own calculations. The obtained significant changes in burning velocities as well as in species profiles elucidate the sensitivity of the burning velocity and flame structure on the magnitude of the reaction rate coefficient of this reaction and stress the importance of this reaction. This work constitutes a necessary and to be continued footstep toward a validated reaction mechanism for the combustion of sulfur.

中文翻译:

S 2 +空气燃烧:反应动力学,火焰结构和层流火焰行为

本文利用火焰数值计算,包括硫/氧反应机理,对S 2在广泛的空燃比下的燃烧进行了研究。报告了反应区的结构以及相应的层状燃烧速度。数值模拟基于详细的反应机理,该机理是从文献中去除所有含氢物质的反应后的H / O / S燃烧机理得出的。在计算中使用文献中的反应速率系数可得出燃烧速度,在T 0时燃烧速度为300 cm s –1数量级。在化学计量条件下= 373K。计算结果的敏感性分析确定了哪个反应速率对燃烧速度和火焰结构具有关键影响。结果表明,相对于反应速率S + O 2 →SO + O的燃烧速度的灵敏度系数是迄今为止最大的灵敏度系数。根据反应S + O 2的速率常数的不同值进行了进一步的研究→SO + O从文献和我们自己的计算中得出。获得的燃烧速度以及物种分布的显着变化阐明了燃烧速度和火焰结构对该反应的反应速率系数的大小的敏感性,并强调了该反应的重要性。这项工作构成了朝着经过验证的硫燃烧反应机理迈出的必要且将继续的脚步。
更新日期:2018-06-15
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