Multi-element flux analysis for the incorporation of detailed kinetic mechanisms in reactive simulations

Kaiyuan He, Ioannis Androulakis, Marianthi Ierapetritou

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Abstract

A method is proposed in this paper based on element flux analysis, which is used for the efficient incorporation of detailed fuel combustion and pollutant formation mechanisms in realistic flow calculations. Specifically, a multi-element flux analysis and a tree searching procedure are introduced to incorporate NOx and soot formation in reduced mechanisms that are generated on the fly during the simulation in addition to the main fuel oxidation network. The inclusion of detailed kinetics in the simulation facilitates the study of combustion characteristics, including ignition time delay, pollutant emission level, and species concentration history. A reaction mechanism of the aviation fuel JP-10 with NOx and soot formation is used to demonstrate the proposed approach. Simulation results using the onthe-fly reduced representation are compared to experimental data, and excellent agreement was observed.

Original languageEnglish (US)
Pages (from-to)309-317
Number of pages9
JournalEnergy and Fuels
Volume24
Issue number1
DOIs
StatePublished - Jan 21 2010

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All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Fuel Technology
  • Energy Engineering and Power Technology

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