The Role of Computational Singular Perturbation (CSP) in Chemical Kinetics

Thursday, October 14, 1999 - 9:30am - 10:00am
Keller 3-180
Sau-Hai Lam (Princeton University)
Why does anyone want to do simplified chemical kinetics? There are (at least) two good rationales:

(1) A simplified kinetics model can provides valuable understanding and insights to complex chemical reaction systems,
(2) The computational resource required is smaller when the number of dependent variables is made smaller. In addition, reduced chemistry models are usually less stiff.

Traditionally, competent theoretician exploit their experience to analytically derive reduced chemistry models. In problems involving a flow field, it is obvious that in different regions of the flow field, the local reduced chemistry models are, in general, different. If rationale #1 is the primary issue, CSP can computationally derive local reduced chemistry models on the fly. However, the computational cost involved is inherently expensive.

The central theme of this workshop appears to be: is there an inexpensive way to achieve rationale #2?

I intend to talk about possible tradeoffs between rationales #1 and #2.

Selected Bibliography

Singular Perturbation for Stiff Equations Using Numerical Methods,
Recent Advances in the Aerospace Sciences,
Edited by Corrado Casci in honor of Luigi Crocco,
Plenum Press, New York and London, 1985.
Conventional Asymptotics and Computational Singular Perturbation for Simplified Kinetics Modeling (abstract and paper) 1991.
Using CSP to Understand Complex Chemical Kinetics (abstract and paper) 1993.
The CSP Method for Simplifying Kinetics (abstract and paper) 1994.
Reduced Chemistry Modeling and Sensitivity Analysis (abstract and paper) 1995.