Valkó, E, Varga, T, Tomlin, AS orcid.org/0000-0001-6621-9492 et al. (2 more authors) (2018) Investigation of the effect of correlated uncertain rate parameters via the calculation of global and local sensitivity indices. Journal of Mathematical Chemistry, 56 (3). pp. 864-889. ISSN 0259-9791
Abstract
Applications of global uncertainty methods for models with correlated parameters are essential to investigate chemical kinetics models. A global sensitivity analysis method is presented that is able to handle correlated parameter sets. It is based on the coupling of the Rosenblatt transformation with an optimized Random Sampling High Dimensional Model Representation method. The accuracy of the computational method was tested on a series of examples where the analytical solution was available. The capabilities of the method were also investigated by exploring the effect of the uncertainty of rate parameters of a syngas–air combustion mechanism on the calculated ignition delay times. Most of the parameters have large correlated sensitivity indices and the correlation between the parameters has a high influence on the results. It was demonstrated that the values of the calculated total correlated and final marginal sensitivity indices are independent of the order of the decorrelation steps. The final marginal sensitivity indices are meaningful for the investigation of the chemical significance of the reaction steps. The parameters belonging to five elementary reactions only, have significant final marginal sensitivity indices. Local sensitivity indices for correlated parameters were defined which are the linear equivalents of the global ones. The results of the global sensitivity analysis were compared with the corresponding results of local sensitivity analysis for the case of the syngas–air combustion system. The same set of reactions was indicated to be important by both approaches.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2017, Springer International Publishing AG, part of Springer Nature. This is a post-peer-review, pre-copyedit version of an article published in Journal of Mathematical Chemistry. The final authenticated version is available online at: https://doi.org/10.1007/s10910-017-0836-7. Uploaded in accordance with the publisher's self-archiving policy. |
Keywords: | Sensitivity analysis; HDMR; Correlated parameters; Syngas combustion |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemical & Process Engineering (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 21 Nov 2017 14:08 |
Last Modified: | 22 Nov 2018 01:39 |
Status: | Published |
Publisher: | Springer Verlag |
Identification Number: | 10.1007/s10910-017-0836-7 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:124300 |