Numerical investigation of homogeneous charge compression ignition (HCCI) combustion with detailed chemical kinetics using on-the-fly reduction

Kaiyuan He, Ioannis P. Androulakis, Marianthi G. Ierapetritou

Research output: Contribution to journalArticle

11 Scopus citations


An on-the-fly mechanism reduction approach is employed in this paper to integrate detailed chemical kinetics with a computational fluid dynamics (CFD) code. The reduction methodology employs an instantaneous element flux analysis to identify redundant species and reactions for given local conditions. The emphasis of this work is focused on the numerical study of homogeneous charge compression ignition (HCCI) engine combustion in CFD code KIVA-3V using a detailed n-heptane oxidation mechanism with 653 species and 2827 elementary reactions. The proposed on-the-fly reduction method predicts species concentrations, temperatures, and pressures with high fidelity compared to solutions obtained using the detailed mechanism. In the mean time, central processing unit (CPU) time on chemistry calculation is tremendously reduced, enabling integration of complex kinetic mechanisms in engine CFD. When detailed chemistry is combined with realistic flow simulation, accurate predictions of in-cylinder combustion behavior of HCCI engines are provided.

Original languageEnglish (US)
Pages (from-to)3369-3376
Number of pages8
JournalEnergy and Fuels
Issue number8
Publication statusPublished - Aug 18 2011


All Science Journal Classification (ASJC) codes

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

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