Reduction of Reaction Mechanism for n -Tridecane Based on Knowledge of Detailed Reaction Paths

Paper #:
  • 2016-01-2238

Published:
  • 2016-10-17
DOI:
  • 10.4271/2016-01-2238
Citation:
Kuwahara, K., Matsuo, T., Sakai, Y., Kobashi, Y. et al., "Reduction of Reaction Mechanism for n-Tridecane Based on Knowledge of Detailed Reaction Paths," SAE Technical Paper 2016-01-2238, 2016, doi:10.4271/2016-01-2238.
Pages:
22
Abstract:
n-Tridecane is a low boiling point component of gas oil, and has been used as a single-component fuel for diesel spray and combustion experiments. However, no reduced chemical kinetic mechanisms for n-tridecane have been presented for three-dimensional modeling. A detailed mechanism developed by KUCRS (Knowledge-basing Utilities for Complex Reaction Systems), contains 1493 chemical species and 3641 reactions. Reaction paths during ignition process for n-tridecane in air computed using the detailed mechanism, were analyzed with the equivalence ratio of 0.75 and the initial temperatures of 650 K, 850 K, and 1100 K, which are located in the cool-flame dominant, negative-temperature coefficient, and blue-flame dominant regions, respectively. Based on knowledge derived from the reaction path analysis, a skeletal mechanism containing 49 species and 85 reactions, was developed and validated for representing ignition characteristics over a wide range of initial conditions computed using the detailed mechanism. The skeletal mechanism includes C3H7, C2H5, and CH3 as representative fragmental alkyl radicals, C7H14, C3H6, and C2H4 as representative alkenes, and C3H7CHO and CH2O as representative aldehydes. C3-series reactions beginning with O2 addition to C3H7, were expressed using parameters for C6-series reactions, which took similar reactions for larger alkyl radicals into consideration. Ignition delay times and low-temperature oxidation induction times with the initial temperatures between 600 K and 1200 K using the skeletal mechanism, and their dependences on pressure and equivalence ratio in lean and stoichiometric cases agree well with those using the detailed mechanism. However, the agreement becomes worse as equivalence ratio is increased in rich cases.
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