Abstract
A systematic approach for mechanism reduction was developed and demonstrated. The approach consists of the generation of skeletal mechanisms from detailed mechanism using directed relation graph with specified accuracy requirement, and the subsequent generation of reduced mechanisms from the skeletal mechanisms using computational singular perturbation based on the assumption of quasi-steady-state species. Both stages of generation are guided by the performance of PSR for high-temperature chemistry and auto-ignition delay for low- to moderately high-temperature chemistry. The demonstration was performed for a detailed ethylene oxidation mechanism consisting of 70 species and 463 elementary reactions, resulting in a specific skeletal mechanism consisting of 33 species and 205 elementary reactions, and a specific reduced mechanism consisting of 20 species and 16 global reactions. Calculations for laminar flame speeds and nonpremixed counterflow ignition using either the skeletal mechanism or the reduced mechanism show very close agreement with those obtained by using the detailed mechanism over wide parametric ranges of pressure, temperature, and equivalence ratio.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 1333-1341 |
| Number of pages | 9 |
| Journal | Proceedings of the Combustion Institute |
| Volume | 30 |
| Issue number | 1 |
| DOIs | |
| State | Published - 2005 |
| Event | 30th International Symposium on Combustion - Chicago, IL, United States Duration: Jul 25 2004 → Jul 30 2004 |
All Science Journal Classification (ASJC) codes
- General Chemical Engineering
- Mechanical Engineering
- Physical and Theoretical Chemistry
Keywords
- Directed relation graph
- Reduced mechanism