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Method of invariant grid for model reduction of hydrogen combustion.pdf

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Method of invariant grid for model reduction of hydrogen combustion

a r X i v : 0 7 1 2 .2 3 8 6 v 1 [ c o n d - m a t .s t a t - m e c h ] 1 4 D e c 2 0 0 7 Method of invariant grid for model reduction of hydrogen combustion Eliodoro Chiavazzoa, Iliya V. Karlina,b, Christos E. Frouzakisa, Konstantinos Boulouchosa a Aerothermochemistry and Combustion Systems Laboratory (LAV), ETHZ CH-8092 Zurich, Switzerland b School of Engineering Sciences, University of Southampton, S017 1BJ Southampton, United Kingdom Abstract The Method of Invariant Grid (MIG) is a model reduction technique based on the concept of slow invariant manifold (SIM), which approximates the SIM by a set of nodes in the concentration space (invariant grid). In the present work, the MIG is applied to a realistic combustion system: An adiabatic constant volume reactor with H2-air at stoichiometric proportions. By considering the thermodynamic Lyapunov function of the detailed kinetic system, the notion of the quasi-equilibrium manifold (QEM) is adopted as an initial approximation to the SIM. One- and two-dimensional discrete approximations of the QEM (quasi-equilibrium grids) are constructed and refined via the MIG to obtain the corresponding invariant grids. The invariant grids are tabulated and used to integrate the reduced system. Excellent agreements between the reduced and detailed kinetics is demonstrated. Key words: Model reduction, invariant manifold, entropy, thermodynamic projector, combustion 1. Introduction Accurate modeling of reactive flows of hydrocar- bon fuels requires the solution of a large number of conservation equations as dictated by detailed reac- tion mechanism. In addition to the sometimes pro- hibitively large number of variables introduced, the numerical solution of the governing equations has to face the stiffness introduced by the fast time scales of the kinetic terms. These issues make computa- tions of even simple flames time consuming. On the other hand, the dynamics of complex reactive sys- tems is often characterized by short ini