Abstract

A kinetic modeling comparative study of the combustion of two cyclic hydrocarbons having the same number of carbon atoms and a different chemical structure (cyclohexane and benzene) was carried out using the PREMIX calculation code developed around the CHEMKIN II formalism, under the conditions of three equivalence ratios (Φ = 0.8, 1 and 1.8) of CYC₆H₁₂/air and C₆H₆/air premixed laminar flames, using two previously validated and published models. It has been found that aromatization played a primordial role in the formation/depletion reactions of pollutants. The modeling results indicated that the combustion of benzene produced high concentrations of CO, CO₂, C₂H₂, C₃H₃ and C₅H₅ as compared to cyclohexane. In addition, one of the main objectives of this study was to obtain a good understanding of the effect of fuel structure on CO, CO₂ production_, as well as on the formation mechanisms of soot precursors. This goal was achieved by analysing the reaction pathways, which allowed us to propose detailed kinetic schemes explaining the formation or depletion paths of each pollutant issued from the two investigated fuels.

中文翻译：

---

碳氢化合物的化学结构对环己烷和苯预混火焰释放的 CO、CO2 和烟尘前体排放的影响

摘要

使用围绕CHEMKIN II形式开发的PREMIX计算代码，在三个等价条件下，对具有相同碳原子数和不同化学结构的两种环状烃（环己烷和苯）的燃烧进行动力学建模比较研究CYC ₆ H ₁₂ /air 和 C ₆ H ₆ /air 预混层流火焰的比率（Φ = 0.8、1 和 1.8），使用两个先前验证和发布的模型。已经发现芳构化在污染物的形成/消耗反应中起主要作用。模拟结果表明，苯燃烧产生高浓度的 CO、CO ₂、C ₂ H ₂、C ₃ H ₃和C ₅ H ₅与环己烷相比。此外，本研究的主要目标之一是深入了解燃料结构对 CO、CO ₂产量的影响_，以及对烟尘前体形成机制的影响。这一目标是通过分析反应途径来实现的，这使我们能够提出详细的动力学方案，解释从两种研究燃料中发出的每种污染物的形成或消耗路径。