A Rule-Based Approach for Automated Generation of Kinetic Chemical Mechanisms

Olivier Bournez 1 Guy-Marie Côme 2 Valérie Conraud 2 Hélène Kirchner 1 Mariana-Liliana Ibanescu 1
1 PROTHEO - Constraints, automatic deduction and software properties proofs
INRIA Lorraine, LORIA - Laboratoire Lorrain de Recherche en Informatique et ses Applications
2 DCPR - Département de Chimie Physique des Réactions
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 the automated generation of the combustion reactions mechanisms previously implemented in the \EXGAS\ kinetic mechanism generator system. We emphasize the benefits of using rewriting and rule-based programming controlled by strategies for the generation of kinetic mechanisms.
Keywords : réécriture chemistry rewriting rule based programing programmation par règles chimie
Type de document :
Communication dans un congrès
Robert Nieuwenhuis. 14th International Conference on Rewriting Techniques and Applications - RTA'2003, Jun 2003, Valencia, Spain, 2706, pp.30-45, 2003, Lecture Notes in Computer Science
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https://hal.inria.fr/inria-00099621
Contributeur : Publications Loria <>
Soumis le : mardi 26 septembre 2006 - 09:39:29
Dernière modification le : lundi 10 septembre 2018 - 12:32:04

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  • HAL Id : inria-00099621, version 1

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INRIA | LORIA | UNIV-LORRAINE

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Olivier Bournez, Guy-Marie Côme, Valérie Conraud, Hélène Kirchner, Mariana-Liliana Ibanescu. A Rule-Based Approach for Automated Generation of Kinetic Chemical Mechanisms. Robert Nieuwenhuis. 14th International Conference on Rewriting Techniques and Applications - RTA'2003, Jun 2003, Valencia, Spain, 2706, pp.30-45, 2003, Lecture Notes in Computer Science. 〈inria-00099621〉

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