EXGAS : Automatic generation of detailed and reduced mechanism
The development of validated and reliable kinetic models to represent the
oxidation and the combustion of organic compounds is of particular interest.
For instance, in the case of spark ignited engines, this type of model could
help the research works aiming at formulating gasolines which present optimal
octane number properties and which lead to minimal pollutants formation. In
the purpose of modelling the combustion of an organic compound or, what is the
actual case in most practical applications, of a mixture of organic compounds,
in the large temperature field which can be observed in an engine, it is necessary
to consider several thousands of reactions. Since automatic procedure would
be a convenient and rigorous way to write such huge mechanisms, EXGAS was designed
for a computer aided construction of mechanisms.
If you need mechanisms for the oxidation of alkanes, please contact us at :
Frederique.Battin-Leclerc@ensic.inpl-nancy.fr
Corresponding kinetic data are calculated by KINGAS or estimated by correlations |
|||||||||
|
Global of scheme EXGAS
|
Description
|
Relevant Publications
|
|
"Computer aided design of gas-phase oxidation mechanism : Application to the modelling of normal-heptane and iso-octane oxidation" Côme G.M., Warth V., Glaude P.A., Fournet R., Battin- Leclerc F., and Scacchi G., 26th (Int.) Symposium on Combustion, The Combustion Institute, 755-762 (1997). |
|
|
"Computer aider desigh of gas-phase mechanisms - Application to the modelling of normal butane oxidation", Warth V., Stef N., Glaude P.A., Battin-Leclerc F., Scacchi G. and Côme G.M., Combustion and flame, submitted (1997). |