Computer based generation of reaction mechanisms for gas-phase oxidation

DOI10.1016/S0097-8485(99)00092-3zbMATH Open1039.92046WikidataQ73980754 ScholiaQ73980754MaRDI QIDQ4458852FDOQ4458852

Authors: V. Warth, F. Battin-Leclerc, R. Fournet, P. A. Glaude, Guy-Marie Côme, G. Scacchi 

Publication date: 14 March 2004

Published in: Computers & Chemistry (Search for Journal in Brave)

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zbMATH Keywords

CombustionAutomatic generationAlkanesGas-phaseOxidationReaction mechanisms

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to biology (92-04) Classical flows, reactions, etc. in chemistry (92E20)

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• Automated mechanism generation: from symbolic calculation to complex chemistry
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• Fast and slow invariant manifolds in chemical kinetics
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• A detailed study of the effects of forcing a hydrocarbon oxidation reaction

Uses Software

• CHEMKIN

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