Abstract The sooting propensity of a fuel is closely coupled with the fuel composition and chemistry. A detailed understanding of their effects is, therefore, needed to develop next-generation fuels which can minimize particulate emissions. With this overarching goal, the present work numerically investigates the effects of fuel composition and octane sensitivity (S) on polycyclic aromatic hydrocarbons (PAH) and soot emissions, for four-component gasoline–ethanol blend surrogates comprising isooctane, n-heptane, toluene, and ethanol. A partially-premixed counterflow flame is chosen as the canonical configuration for this study and simulations are performed using CHEMKIN-Pro-employing a kinetic mechanism developed by Park et al. (2017). In addition, a, detailed soot model based on the sectional method is used to capture the spatial characteristics of soot emissions. The kinetic mechanism and soot model are validated using available experimental data for various targets. A total of 86 TPRF-E mixtures, spanning a wide range of concentration of each component, and a wide range of S are analyzed. The effect of each non-paraffinic fuel component on the resultant PAH and soot emissions is investigated. PAH and soot emissions are found to vary significantly depending upon the blend composition. Based on the parametric sweeps, a regression analysis is carried out to identify global parameters that govern the formation of PAHs and soot. The analysis shows that both toluene content and S have a prominent effect on the formation of PAHs and soot, with toluene content having a stronger impact. Moreover, larger PAHs have higher dependency on toluene content and S. Furthermore, a detailed analysis is carried out to understand the physical and chemical phenomena associated with the observed trends of PAH and soot emissions.

中文翻译：

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燃料成分和辛烷值敏感性对汽油-乙醇混合替代品的多环芳烃和烟尘排放的影响

摘要 燃料的碳烟倾向与燃料成分和化学性质密切相关。因此，需要详细了解它们的影响，以开发可以最大限度地减少颗粒排放的下一代燃料。本着这一总体目标，本工作以数值方式研究了燃料成分和辛烷敏感性 (S) 对多环芳烃 (PAH) 和烟尘排放的影响，对于四组分汽油 - 乙醇混合替代品，包括异辛烷、正庚烷、甲苯、和乙醇。选择部分预混的逆流火焰作为本研究的规范配置，并使用 CHEMKIN-Pro 进行模拟，采用 Park 等人开发的动力学机制。(2017)。此外，一、基于截面法的详细烟尘模型用于捕捉烟尘排放的空间特征。使用各种目标的可用实验数据验证动力学机制和烟尘模型。总共分析了 86 种 TPRF-E 混合物，涵盖每个组分的各种浓度和各种 S。研究了每种非链烷烃燃料成分对产生的 PAH 和碳烟排放的影响。发现 PAH 和碳烟排放量因混合成分而异。基于参数扫描，进行回归分析以确定控制 PAH 和烟尘形成的全局参数。分析表明，甲苯含量和 S 对 PAHs 和烟尘的形成都有显着影响，其中甲苯含量的影响更大。而且，