A hierarchical single-pulse shock tube pyrolysis study of C2–C6 1-alkenes
Shashank S. Nagaraja, Jinhu Liang, Shijun Dong, Snehasish Panigrahy, Amrit Bikram Sahu, Goutham Kukkadapu, Scott W. Wagnon, William J. Pitz, Henry J. Curran
Abstract
A single-pulse shock tube study of the pyrolysis of 2% C2–C6 1-alkenes is presented at 2 bar in the temperature range 900–1800 K in the current study. Reactant, intermediate and product species are obtained and quantified using gas chromatography-mass spectrometry (GC–MS) analysis. MS is used for species identification and a flame ionization detector is used for quantification. The experiments show the effect of carbon chain length on the production of smaller C1–C3 fragments. A new detailed kinetic mechanism, NUIGMech1.0, is used to simulate the data and the predictions for the major species are satisfactory. The improvement in predictions of the current mechanism, which includes C6 and C7 species, is substantial compared to AramcoMech3.0. Kinetic analyses are conducted with the current mechanism to identify the formation and consumption pathways of the quantified species. The experimental data are expected to contribute to a database for the validation of mechanisms at pyrolytic conditions. Additionally, the mechanism aims to provide a fundamental understanding of the pyrolytic chemistry of olefins.