Experimental investigation of the intermediates of isooctane during ignition

Abstract

Direct measurements of intermediates of ignition are challenging experimental objectives, yet such measurements are critical for understanding fuel decomposition and oxidation pathways. In the current work, a new gas-sampling system is used to provide quantitative discrete measurements of 30 hydrocarbon and oxygenate species during rapid compression facility studies of isooctane ignition. Two target conditions and equivalence ratios (based on molar fuel to oxygen ratio) were studied (P = 5.2 atm, T = 1000 K, φ = 0.4 and P = 4.8 atm, T = 975 K, φ = 1.2). The results are compared with model predictions that use the detailed reaction mechanism developed by Curran et al. ( Combust Flame 2002, 129, 253–280). In general, the model predictions are in excellent agreement with the experimental data, including several trace species. Isobutene (i-C 4 H 8 ) and propene (C 3 H 6 ) were the major olefin species identified in the experiments. The results are consistent with an intermediate temperature reaction path sequence, where isooctane is consumed by H-atom abstraction to yield isooctyl radicals that undergo Β-scission to form olefin and alkyl radical species. © 2007 Wiley Periodicals, Inc. Int J Chem Kinet 39: 498–517, 2007