Automated generation of kinetic chemical mechanisms using rewriting

Olivier Bournez; Guy Marie Côme; Valérie Conraud; Hélène Kirchner; Liliana Ibǎnescu

doi:10.1007/3-540-44863-2_37

Automated generation of kinetic chemical mechanisms using rewriting

Olivier Bournez
, Guy Marie Côme
, Valérie Conraud
, Hélène Kirchner
, Liliana Ibǎnescu

LORIA and INRIA Lorraine
Département de Chimie Physique des Réactions (DCPR)
Nancy Université

Résultats de recherche: Le chapitre dans un livre, un rapport, une anthologie ou une collection › Chapitre › Revue par des pairs

3 Citations (Scopus)

Résumé

Several software systems have been developed recently for the automated generation of combustion reactions kinetic mechanisms using different representations of species and reactions and different generation algorithms. In parallel, several software systems based on rewriting have been developed for the easy modeling and prototyping of systems using rules controlled by strategies. This paper presents our current experience in using the rewrite system ELAN for prototyping the automatic generation of the combustion reactions mechanisms previously implemented in the EXGAS kinetic mechanism generator system. We describe how to express in ELAN acyclic and cyclic molecules, reactants, elementary reactions and the primary mechanism for acyclic species. Examples and generated outputs are given.

langue originale	Anglais
titre	Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
rédacteurs en chef	Peter M.A. Sloot, David Abramson, Alexander V. Bogdanov, Yuriy E. Gorbachev, Jack J. Dongarra, Albert Y. Zomaya
Editeur	Springer Verlag
Pages	367-376
Nombre de pages	10
ISBN (imprimé)	9783540401964
Les DOIs	https://doi.org/10.1007/3-540-44863-2_37
état	Publié - 1 janv. 2003
Modification externe	Oui

Série de publications

Nom	Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
Volume	2659
ISSN (imprimé)	0302-9743
ISSN (Electronique)	1611-3349

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10.1007/3-540-44863-2_37

Contient cette citation

Bournez, O., Côme, G. M., Conraud, V., Kirchner, H., & Ibǎnescu, L. (2003). Automated generation of kinetic chemical mechanisms using rewriting. Dans P. M. A. Sloot, D. Abramson, A. V. Bogdanov, Y. E. Gorbachev, J. J. Dongarra, & A. Y. Zomaya (eds.), Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (p. 367-376). (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol 2659). Springer Verlag. https://doi.org/10.1007/3-540-44863-2_37

Bournez, Olivier ; Côme, Guy Marie ; Conraud, Valérie et al. / Automated generation of kinetic chemical mechanisms using rewriting. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). Editeur / Peter M.A. Sloot ; David Abramson ; Alexander V. Bogdanov ; Yuriy E. Gorbachev ; Jack J. Dongarra ; Albert Y. Zomaya. Springer Verlag, 2003. p. 367-376 (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)).

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abstract = "Several software systems have been developed recently for the automated generation of combustion reactions kinetic mechanisms using different representations of species and reactions and different generation algorithms. In parallel, several software systems based on rewriting have been developed for the easy modeling and prototyping of systems using rules controlled by strategies. This paper presents our current experience in using the rewrite system ELAN for prototyping the automatic generation of the combustion reactions mechanisms previously implemented in the EXGAS kinetic mechanism generator system. We describe how to express in ELAN acyclic and cyclic molecules, reactants, elementary reactions and the primary mechanism for acyclic species. Examples and generated outputs are given.",

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Bournez, O, Côme, GM, Conraud, V, Kirchner, H & Ibǎnescu, L 2003, Automated generation of kinetic chemical mechanisms using rewriting. Dans PMA Sloot, D Abramson, AV Bogdanov, YE Gorbachev, JJ Dongarra & AY Zomaya (eds), Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), VOL. 2659, Springer Verlag, p. 367-376. https://doi.org/10.1007/3-540-44863-2_37

Automated generation of kinetic chemical mechanisms using rewriting. / Bournez, Olivier; Côme, Guy Marie; Conraud, Valérie et al.
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). Ed. / Peter M.A. Sloot; David Abramson; Alexander V. Bogdanov; Yuriy E. Gorbachev; Jack J. Dongarra; Albert Y. Zomaya. Springer Verlag, 2003. p. 367-376 (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol 2659).

Résultats de recherche: Le chapitre dans un livre, un rapport, une anthologie ou une collection › Chapitre › Revue par des pairs

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AB - Several software systems have been developed recently for the automated generation of combustion reactions kinetic mechanisms using different representations of species and reactions and different generation algorithms. In parallel, several software systems based on rewriting have been developed for the easy modeling and prototyping of systems using rules controlled by strategies. This paper presents our current experience in using the rewrite system ELAN for prototyping the automatic generation of the combustion reactions mechanisms previously implemented in the EXGAS kinetic mechanism generator system. We describe how to express in ELAN acyclic and cyclic molecules, reactants, elementary reactions and the primary mechanism for acyclic species. Examples and generated outputs are given.

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Bournez O, Côme GM, Conraud V, Kirchner H, Ibǎnescu L. Automated generation of kinetic chemical mechanisms using rewriting. Dans Sloot PMA, Abramson D, Bogdanov AV, Gorbachev YE, Dongarra JJ, Zomaya AY, rédacteurs en chef, Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). Springer Verlag. 2003. p. 367-376. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)). doi: 10.1007/3-540-44863-2_37

Automated generation of kinetic chemical mechanisms using rewriting

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