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Integration of on‐the‐fly kinetic reduction with multidimensional CFD
Author(s) -
He Kaiyuan,
Ierapetritou Marianthi G.,
Androulakis Ioannis P.
Publication year - 2010
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.12072
Subject(s) - chemkin , computational fluid dynamics , reduction (mathematics) , context (archaeology) , coupling (piping) , ignition system , computer science , on the fly , flow (mathematics) , combustion , mechanics , chemistry , simulation , engineering , mechanical engineering , aerospace engineering , physics , mathematics , paleontology , geometry , organic chemistry , biology , operating system
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