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Published January 8, 2007 | public
Book Section - Chapter

A New Method in Modeling and Simulations of Complex Oxidation Chemistry


A simplified model is proposed for the kinetics of alkane oxidation in air, based on a decomposition of heavy (carbon number ≥3) hydrocarbons into a 13 constituent radical base. The behavior of this base is examined in test computations for heptane utilizing Chemkin II with LLNL data inputs. Emphasis is placed on prediction of the heat release and temperature evolution. At stoichiometric conditions, the total constituent molar density was found to follow a quasi-steady rate which is a simplification in the modeling of its reaction rate.

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© 2007 by California Institute of Technology. Published by the American Institute of Aeronautics and Astronautics, Inc., with permission.

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October 20, 2023