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Repro-modelling based generation of intrinsic low-dimensional manifolds. (English) Zbl 1016.92051

Summary: Effective procedures for the reduction of reaction mechanisms, including the intrinsic low-dimensional manifold (ILDM) and the repro-modelling methods, are all based on the existence of very different time scales in chemical kinetic systems. These two methods are reviewed and the advantages and drawbacks of them are discussed.
An algorithm is presented for the repro-modelling based generation of ILDMs. This algorithm produces an unstructured table of ILDM points, which are then fitted using spline functions. These splines contain kinetic information on the behaviour of the chemical system. Combustion of hydrogen in air is used as illustrative example. Simulation results using the fitted model are compared with the outcome of calculations based on the detailed reaction mechanism for homogeneous explosions and 1D laminar flames.

MSC:

92E20 Classical flows, reactions, etc. in chemistry
92E10 Molecular structure (graph-theoretic methods, methods of differential topology, etc.)

Software:

CHEMKIN
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