An Experimental and Kinetic Study of Phenylacetylene Ignition at High Temperatures

Phenylacetylene plays a critical role as an intermediate in PAH formation in hydrocarbon flames. In this work, the autoignition characteristics of phenylacetylene were investigated behind reflected shock waves. Ignition delay times were measured at temperatures ranging from 1228 to 1813 K, pressures of 2, 4, and 10 atm, equivalence ratios of 0.5, 1.0, and 2.0, as well as fuel mole fractions of 0.1% and 0.2%. The effects of temperature, pressure, equivalence ratio, and mole fractions on ignition delay time were investigated, and quantitative relationships were obtained by regression analysis of the experimental data. A detailed oxidation mechanism of phenylacetylene based on NUIGMech1.1 was proposed and verified using ignition data. Reaction pathway and sensitivity analyses have been carried out to investigate the significant reaction pathways in the ignition process and key reactions that affect the ignition delay time. The addition reactions by O and OH species contribute significantly to phenylacetylene consumption and promote fuel ignition. Finally, a comparison of the ignition delay times of ethylbenzene, styrene, and phenylacetylene was conducted in this study, and kinetic analyses have been conducted to investigate the impact of different side chains attached to aromatic rings on the ignition of these C8 aromatics.

Automated summary

Phenylacetylene plays a critical role in the formation of polycyclic aromatic hydrocarbons during petroleum combustion. In this study, the autoignition characteristics of phenylacetylene were investigated using reflected shock wave experiments. Ignition delay times were measured under different conditions, and quantitative relationships were obtained through regression analysis. The detailed oxidation mechanism of phenylacetylene was proposed and verified, and significant reaction pathways and key reactions affecting ignition delay time were investigated. A comparison of the ignition delay times of ethylbenzene, styrene, and phenylacetylene was also conducted, along with an analysis of the impact of different side chains on aromatic ring ignition.