Testing the validity of a mechanism describing the oxidation of binary n-heptane/toluene mixtures at engine operating conditions

The aim of this work is to evaluate the influence of the n-heptane/toluene ratio on the reactivity of binary toluene reference fuels (TRFs), through a combined experimental and numerical work. Novel experimental ignition delay time (IDT) data of three binary TRFs of varying n-heptane/toluene ratios have been obtained in a high-pressure shock tube and in a rapid compression machine at conditions relevant to novel engine operation. Measurements have been performed at two pressures (10 and 30 bar), and at three fuel/air equivalence ratios (0.5, 1.0 and 2.0) for TRF mixtures of 50%, 75% and 90% by volume toluene concentration, over the temperature range of 650-1450 K. It was found that, increasing the n-heptane content, led to an increase in reactivity and shorter measured IDTs. Reduced sensitivity to the equivalence ratio was observed at high temperatures, especially for high toluene content mixtures. A well validated detailed kinetic mechanism for TRF oxidation was utilized to provide further insight into the experimental evidence. The mechanism, which has recently been updated, was also assessed in terms of its validity, contributing thus to its continuous development. Reaction path analysis was performed to delineate critical aspects of toluene oxidation under the considered conditions. Further, sensitivity analysis highlighted the interactions between the chemistry of the two TRF components, revealing toluene\u27s character as a reactivity inhibitor mainly through the consumption of (O) over dotH radicals. (C) 2018 The Combustion Institute. Published by Elsevier Inc. All rights reserved.The authors are grateful to the EU Marie Curie ITN for the financial support through the ECCO-MATE project (Grant No 607214). The work by authors at LLNL was performed under the auspices of the U.S. Department of Energy (DOE), Contract DE-AC52-07NA27344 and was conducted as part of the Co-Optimization of Fuels & Engines (Co-Optima) project sponsored by the DOE Office of Energy Efficiency and Renewable Energy (EERE), Bioenergy Technologies and Vehicle Technologies Offices.2021-11-0