Automated Generation of Kinetic Chemical Mechanisms Using Rewriting

机译：使用重写自动生成动力学化学机理

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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.

机译：最近已经开发了几种软件系统，用于使用物种和反应的不同表示以及不同的生成算法来自动生成燃烧反应动力学机制。同时，已经开发了几种基于重写的软件系统，以使用策略控制的规则对系统进行简单的建模和原型设计。本文介绍了我们目前使用重写系统ELAN进行原型自动生成燃烧反应机制的原型的当前经验，该燃烧反应机制先前在EXGAS动力学机制生成器系统中实现。我们描述了如何在ELAN中表达无环和环状分子，反应物，基本反应以及无环物质的主要机理。给出了示例和生成的输出。

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《International Conference on Computational Science - ICCS 2003 Pt.3 Jun 2-4, 2003 Melbourne, Australia and St. Petersburg, Russia》|2003年|p.367-376|共10页
会议地点 Melbourne(AU) St. Petersburg(RU);Melbourne(AU) St. Petersburg(RU)
作者
Olivier Bournez; Guy-Marie Come; Valerie Conraud; Helene Kirchner; Liliana Ibanescu;
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LORIA INRIA Lorraine 615, rue du Jardin Botanique, BP 101 F-54602 Villers-les-Nancy Cedex, France;

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原文格式 PDF
正文语种 eng
中图分类自动化技术、计算机技术;
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8. Automated Estimation of Kinetic Rate Parameters and Mechanisms of Gas Phase Chemical Reactions. [R] . martinez,maria ramos miller,donald j. 1974

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Automated Generation of Kinetic Chemical Mechanisms Using Rewriting

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