226
Views
15
CrossRef citations to date
0
Altmetric
Original Articles

COMPREHENSIVE DESCRIPTION OF CHEMISTRY IN COMBUSTION MODELING

Pages 845-870 | Received 14 Jan 2004, Accepted 11 May 2004, Published online: 30 Aug 2006
 

ABSTRACT

Recognizing the highly nonlinear and coupled nature of chemical reaction mechanisms of relevance to combustion, and that realistic combustion situations frequently involve extensive variations in the system pressure as well as the local temperature and composition, it is advocated that development of detailed and simplified reaction mechanisms should strive for comprehensiveness in their coverage in terms of thermodynamic parameters, combustion phenomena, and fuel hierarchy. The possibility of mechanism simplification without sacrificing comprehensiveness is demonstrated for a detailed ethylene oxidation mechanism that consists of 70 species and 463 elementary reactions. It is shown that this detailed mechanism can be first simplified, through application of the directed relation graph, to a skeletal mechanism that consists of only 33 species and 205 elementary reactions. This skeletal mechanism is then further simplified to a reduced mechanism that consists of only 21 species and 16 lumped reactions, obtained by assuming quasi-steadiness for species identified through computational singular perturbation. It is further demonstrated that these two mechanisms mimic closely and comprehensively the detailed mechanism for the homogeneous phenomena of perfectly stirred reactor and auto-ignition, and diffusive phenomena of the laminar flame speeds and counterflow ignition, over extensive variations in terms of the system pressure, temperature, and composition.

Acknowledgments

The continuing support of the author's research in combustion chemistry by the Air Force Office of Scientific Research under the technical monitoring of Dr. Julian M. Tishkoff is gratefully acknowledged. The assistance of Dr. Tianfeng Lu in the preparation of this manuscript is also very much appreciated.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.