Quaglio, M;
Fraga, ES;
Galvanin, F;
(2020)
A diagnostic procedure for improving the structure of approximated kinetic models.
Computers & Chemical Engineering
, 133
, Article 106659. 10.1016/j.compchemeng.2019.106659.
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Abstract
Kinetic models of chemical and biochemical phenomena are frequently built from simplifying assumptions. Whenever a model is falsified by data, its mathematical structure should be modified embracing the available experimental evidence. A framework based on maximum likelihood inference is illustrated in this work for diagnosing model misspecification and improving the structure of approximated models. In the proposed framework, statistical evidence provides a measure to justify a modification of the model structure, namely a reduction of complexity through the removal of irrelevant parameters and/or an increase of complexity through the replacement of relevant parameters with more complex state-dependent expressions. A tailored Lagrange multipliers test is proposed to support the scientist in the improvement of parametric models when an increase in model complexity is required.
| Type: | Article |
|---|---|
| Title: | A diagnostic procedure for improving the structure of approximated kinetic models |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.compchemeng.2019.106659 |
| Publisher version: | https://doi.org/10.1016/j.compchemeng.2019.106659 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | process-model mismatch, diagnosis, information, Lagrange multipliers |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10087059 |
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