Model reduction for chemical kinetics: An optimization approach
- Univ. of California, Santa Barbara, CA (United States). Dept. of Mechanical and Environmental Engineering
- Univ. of Minnesota, Minneapolis, MN (United States). Dept. of Computer Science
The kinetics of a detailed chemically reacting system can potentially be very complex. Although the chemist may be interested in only a few species, the reaction model almost always involves a much larger number of species. Some of those species are radicals, which are very reactive species and can be important intermediaries in the reaction scheme. A large number of elementary reactions can occur among the species; some of these reactions are fast and some are slow. The aim of simplified kinetics modeling is to derive the simplest reaction system which retains the essential features of the full system. An optimization-based method for reduction of the number of species and reactions in chemical kinetics model is described. Numerical results for several reaction mechanisms illustrate the potential of this approach.
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- OSTI ID:
- 345309
- Journal Information:
- AIChE Journal, Vol. 45, Issue 4; Other Information: PBD: Apr 1999
- Country of Publication:
- United States
- Language:
- English
Similar Records
One-step reduced kinetics for lean hydrogen-air deflagration
Surface Chemkin (version 3. 7): A Fortran package for analyzing heterogeneous chemical kinetics at a solid-surface-gas-phase interface