Testing the validity of a mechanism describing the oxidation of binary n-heptane/toluene mixtures at engine operating conditions
The purpose 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. Moreoever, sensitivity analysis highlighted the interactions between the chemistry of the two TRF components, revealing toluene's character as a reactivity inhibitor mainly through the consumption of ÓH radicals.
- Research Organization:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Sustainable Transportation Office. Bioenergy Technologies Office (BETO); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
- Grant/Contract Number:
- AC52-07NA27344
- OSTI ID:
- 1566021
- Report Number(s):
- LLNL-JRNL-754752; 941521
- Journal Information:
- Combustion and Flame, Vol. 199, Issue C; ISSN 0010-2180
- Publisher:
- ElsevierCopyright Statement
- Country of Publication:
- United States
- Language:
- English
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