Integration of on-the-fly kinetic reduction with multidimensional CFD

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

Research output: Contribution to journalArticlepeer-review

14 Scopus citations


A reduction approach for coupling complex kinetics with engine computational fluid dynamics (CFD) code has been developed. An on-the-fly reduction scheme was used to reduce the reaction mechanism dynamically during the reactive flow calculation in order to couple comprehensive chemistry with flow simulations in each computational cell. KIVA-3V code is used as the CFD framework and CHEMKIN is employed to formulate chemistry, hydrodynamics and transport. Mechanism reduction was achieved by applying element flux analysis on-the-fly in the context of the multidimensional CFD calculation. The results show that incorporating the on-the-fly reduction approach in CFD code enables the simulation of ignition and combustion process accurately compared with detailed simulations. Both species and time-dependant information can be provided by the current model with significantly reduced CPU time.

Original languageEnglish (US)
Pages (from-to)1305-1314
Number of pages10
JournalAIChE Journal
Issue number5
StatePublished - May 2010

All Science Journal Classification (ASJC) codes

  • Biotechnology
  • Environmental Engineering
  • Chemical Engineering(all)


  • CFD
  • Detailed kinetics
  • On-the-fly reduction


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