Numerical Study of PAHs and Soot Emissions from Gasoline-Methanol, Gasoline-Ethanol, and Gasoline-n-Butanol Blend Surrogates

Soot formation is an intricate phenomenon, and soot propensity of a fuel is interwoven with the fuel composition, physical and chemical properties, and combustion environment. The present study examines the hypothesis that in addition to the chemical composition of the fuel, the sooting nature of the fuel is closely coupled with its chemical property known as octane sensitivity (S). With this motivation, the present study numerically investigates the effects of gasoline surrogate composition and its property, octane sensitivity (S), on polycyclic aromatic hydrocarbons (PAHs) and soot emissions. Four-component toluene primary reference fuel (TPRF)-alcohol blends, comprising isooctane, n-heptane, toluene, and one of the three different alcohols-methanol, ethanol, and n-butanol, are used as gasoline surrogates. A total of 320 TPRF-alcohol mixtures, with S in the range of 1-10, are examined under laminar counterflow diffusion flame conditions. A detailed chemical mechanism coupled with a comprehensive soot model, which includes reactions for soot inception, surface growth, PAH condensation, and oxidation, is adopted. The analysis indicates that the toluene content in the fuel mixture has a prominent effect, while the alcohol content and octane sensitivity of the fuel have a weak correlation with the PAHs and soot. Thus, it is not clear if any of these three variables, namely, toluene content in the fuel, alcohol content in the fuel, and S, are individually sufficient to characterize the PAHs and soot across various blends. For this reason, a new variable (X-CHO) based on the elemental composition of the fuel mixture is identified and it is shown that X-CHO along with S of the fuel characterize soot emissions satisfactorily. Further, a reaction path analysis indicates that the efficacy of alcohols in reducing soot emissions follows the order: methanol > ethanol > n-butanol.

Automated summary

Soot formation is a complex process that is closely related to the composition, physical and chemical properties, and combustion environment of the fuel. This study investigates the relationship between soot propensity and the octane sensitivity of the fuel. Numerical simulations reveal that the toluene content in the fuel mixture has a significant effect on polycyclic aromatic hydrocarbons (PAHs) and soot emissions, while the alcohol content and octane sensitivity show a weak correlation. A new variable based on the elemental composition of the fuel mixture, along with octane sensitivity, can satisfactorily characterize soot emissions.