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

Authors

  • Kaiyuan He,

    1. Dept of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, Piscataway, NJ 08854
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  • Marianthi G. Ierapetritou,

    1. Dept of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, Piscataway, NJ 08854
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  • Ioannis P. Androulakis

    Corresponding author
    1. Dept of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, Piscataway, NJ 08854
    • Dept of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, Piscataway, NJ 08854
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Abstract

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. © 2009 American Institute of Chemical Engineers AIChE J, 2010

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