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Integration of On-The-Fly Kinetic Reduction with Multidimensional CFD

Summary: Integration of On-The-Fly Kinetic Reduction
with Multidimensional CFD
Kaiyuan He, Marianthi G. Ierapetritou, and Ioannis P. Androulakis
Dept of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey,
Piscataway, NJ 08854
DOI 10.1002/aic.12072
Published online September 29, 2009 in Wiley InterScience (www.interscience.wiley.com).
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 for-
mulate 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. VVC 2009 American Institute of Chemical Engineers AIChE J, 56: 13051314, 2010
Keywords: on-the-fly reduction, CFD, detailed kinetics


Source: Androulakis, Ioannis (Yannis) - Biomedical Engineering Department & Department of Chemical and Biochemical Engineering, Rutgers University
Rutgers University, Rutgers Center for Operations Research


Collections: Biology and Medicine; Engineering