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The role of thermodynamics in model reduction when using invariant grids

The role of thermodynamics in model reduction when using invariant grids
The role of thermodynamics in model reduction when using invariant grids
In the present work, we develop in detail the process leading to reduction of models in chemical kinetics when using the Method of Invariant Grids (MIG). To this end, reduced models (invariant grids) are obtained by refining initial approximations of slow invariant manifolds, and used for integrating smaller and less stiff systems of equations capable to recover the detailed description with high accuracy. Moreover, we clarify the role played by thermodynamics in model reduction, and carry out a comparison between detailed and reduced solutions for a model hydrogen oxidation reaction.
chemical kinetics, model reduction, invariant manifold, entropy
1815-2406
701-734
Chiavazzo, Eliodoro
dce5b8a7-3d53-4448-8863-6f7eda9b669d
Karlin, Iliya V.
3331716f-692a-4b81-87a4-9aad489d025d
Gorban, Alexander N.
31914661-757a-4b6b-a953-109ac7499746
Chiavazzo, Eliodoro
dce5b8a7-3d53-4448-8863-6f7eda9b669d
Karlin, Iliya V.
3331716f-692a-4b81-87a4-9aad489d025d
Gorban, Alexander N.
31914661-757a-4b6b-a953-109ac7499746

Chiavazzo, Eliodoro, Karlin, Iliya V. and Gorban, Alexander N. (2010) The role of thermodynamics in model reduction when using invariant grids. Communications in Computational Physics, 8 (4), 701-734. (doi:10.4208/cicp.030709.210110a).

Record type: Article

Abstract

In the present work, we develop in detail the process leading to reduction of models in chemical kinetics when using the Method of Invariant Grids (MIG). To this end, reduced models (invariant grids) are obtained by refining initial approximations of slow invariant manifolds, and used for integrating smaller and less stiff systems of equations capable to recover the detailed description with high accuracy. Moreover, we clarify the role played by thermodynamics in model reduction, and carry out a comparison between detailed and reduced solutions for a model hydrogen oxidation reaction.

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Published date: October 2010
Keywords: chemical kinetics, model reduction, invariant manifold, entropy

Identifiers

Local EPrints ID: 155905
URI: http://eprints.soton.ac.uk/id/eprint/155905
ISSN: 1815-2406
PURE UUID: 00e27787-1a48-41d1-b997-cf570747066d

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Date deposited: 02 Jun 2010 08:39
Last modified: 02 Dec 2019 21:20

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Contributors

Author: Eliodoro Chiavazzo
Author: Iliya V. Karlin
Author: Alexander N. Gorban

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