A hierarchical single-pulse shock tube pyrolysis study of C-2-C-6 1-alkenes

Nagaraja, Shashank S., Liang, Jinhu, Dong, Shijun, Panigrahy, Snehasish, Sahu, Amrit, Kukkadapu, Goutham, Wagnon, Scott W., Pitz, William J., Curran, Henry J. (2020). A hierarchical single-pulse shock tube pyrolysis study of C2–C6 1-alkenes. Combustion and Flame, 219, 456-466. doi:https://doi.org/10.1016/j.combustflame.2020.06.021

Abstract

A single-pulse shock tube study of the pyrolysis of 2% C-2 - C-6 1-alkenes is presented at 2 bar in the tem-perature 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 C 1-C-3 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 C-6 and C-7 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 mech-anism aims to provide a fundamental understanding of the pyrolytic chemistry of olefins. (C) 2020 The Author(s). Published by Elsevier Inc. on behalf of The Combustion Institute.

Funder

Science Foundation Ireland

Publisher

Elsevier

Rights

Attribution-NonCommercial-NoDerivs 3.0 Ireland

cbn

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School of Biological and Chemical Sciences (Scholarly Articles)