A strategy for reducing complex chemical reaction mechanisms is developed and illustrated with reference to the oscillatory H2 + O2 system in a CSTR in the region of the second explosion limit. The approach involves the identification of redundant species via rate sensitivity analysis and of redundant reactions by the principal component analysis of the rate sensitivity matrix. Temperature sensitivity analysis is also employed and the application of the quasi-steady-state approximation is discussed briefly and used in the final stages of the reduction. The above procedures are shown to assist the understanding of the underlying mechanisms of the reaction for the chosen conditions and the competition between branching steps during oscillatory ignitions is discussed. The reduced mechanism is compared with models discussed elsewhere.
ASJC Scopus subject areas
- Chemical Engineering(all)
- Fuel Technology
- Energy Engineering and Power Technology
- Physics and Astronomy(all)