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Optimization and analysis of large chemical kinetic mechanisms using the solution mapping method - Combustion of methaneA method of systematic optimization, solution mapping, as applied to a large-scale dynamic model is presented. The basis of the technique is parameterization of model responses in terms of model parameters by simple algebraic expressions. These expressions are obtained by computer experiments arranged in a factorial design. The developed parameterized responses are then used in a joint multiparameter multidata-set optimization. A brief review of the mathematical background of the technique is given. The concept of active parameters is discussed. The technique is applied to determine an optimum set of parameters for a methane combustion mechanism. Five independent responses - comprising ignition delay times, pre-ignition methyl radical concentration profiles, and laminar premixed flame velocities - were optimized with respect to thirteen reaction rate parameters. The numerical predictions of the optimized model are compared to those computed with several recent literature mechanisms. The utility of the solution mapping technique in situations where the optimum is not unique is also demonstrated.
Document ID
Document Type
Reprint (Version printed in journal)
Frenklach, Michael (Pennsylvania State Univ. University Park, PA, United States)
Wang, Hai (Pennsylvania State University University Park, United States)
Rabinowitz, Martin J. (NASA Lewis Research Center Cleveland, OH, United States)
Date Acquired
August 15, 2013
Publication Date
January 1, 1992
Publication Information
Publication: Progress in Energy and Combustion Science
Volume: 18
Issue: 1, 19
ISSN: 0360-1285
Subject Category
Distribution Limits