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Automatic Sensitivity Analysis of Kinetic Mechanisms

Koda, Masato and McRae, Gregory J. and Seinfeld, J. H. (1979) Automatic Sensitivity Analysis of Kinetic Mechanisms. International Journal of Chemical Kinetics, 11 (4). pp. 427-444. ISSN 0538-8066. https://resolver.caltech.edu/CaltechAUTHORS:20140625-132824054

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Abstract

An algorithm for the automatic sensitivity analysis of kinetic mechanisms based on the Fourier amplitude sensitivity test (FAST) method of Shuler and co-workers is reported. The algorithm computes a measure of the relative sensitivity of each concentration to each parameter of interest, such as rate constants, Arrhenius parameters, stoichiometric coefficients, and initial concentrations. Arbitrary variations in the magnitude of the parameters are allowable. The algorithm is illustrated for the simple example of computing the sensitivity of the concentration of species A to variation of the two Arrhenius parameters for the hypothetical reaction A + A →.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1002/kin.550110408 DOIArticle
http://onlinelibrary.wiley.com/doi/10.1002/kin.550110408/abstractPublisherArticle
ORCID:
AuthorORCID
Seinfeld, J. H.0000-0003-1344-4068
Additional Information:© 1979 John Wiley & Sons, Inc. Received June 30, 1978; Revised August 28, 1978. This work was supported by the Environmental Protection Agency under Grant No. R805537.
Group:Environmental Quality Laboratory
Funders:
Funding AgencyGrant Number
Environmental Protection Agency (EPA)R805537
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Environmental Quality LaboratoryA-36
Issue or Number:4
Record Number:CaltechAUTHORS:20140625-132824054
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20140625-132824054
Official Citation:Koda, M., Mcrae, G. J. and Seinfeld, J. H. (1979), Automatic sensitivity analysis of kinetic mechanisms. Int. J. Chem. Kinet., 11: 427–444. doi: 10.1002/kin.550110408
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:46511
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:01 Jul 2014 20:09
Last Modified:03 Oct 2019 06:44

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