The Role of
Computational Singular
Perturbation (CSP)
in Chemical
Kinetics
Harvey
S. H. Lam
Princeton University, Princeton, NJ
08540
Abstract
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.
|
