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Stoichio-kinetic model discrimination and parameter identification in continuous microreactors

Violet, Léo and Loubière, Karine and Rabion, Alain and Samuel, Robert and Hattou, Stéphane and Cabassud, Michel and Prat, Laurent E. Stoichio-kinetic model discrimination and parameter identification in continuous microreactors. (2016) Chemical Engineering Research and Design, 114. 39-51. ISSN 0263-8762

(Document in English)

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Official URL: http://doi.org/10.1016/j.cherd.2016.07.025


Kinetics is essential for chemical reactor modelling, in particular to reduce the inherent risks of extrapolation going along with scaling-up. Pharmaceutical industries are especially concerned. However, when chemical systems are very complex, development of good models may lead to prohibitively expensive and time consuming experiments. The aim of this paper is to describe an efficient experimental design strategy for discrimination of stoichio-kinetic models. The proposed methodology is based on model-based experimental design(optimal design), which uses information already acquired on models to determine the best conditions to implement a new experiment with the highest discrimination potential. The combination with microreactor technology is also proposed in this work. The whole procedure for model discrimination is firstly described in detail and then, applied to a numerical study case, consisting of a chemical synthesis carried out in a microreactor. The discrimination procedure efficiently leads to the determination of the single adequate model among the various potential models proposed before the implementation of the designed experiments.It is verified that the procedure does not depend on the set of preliminary experiments and is time-saving when compared to a classical factorial plan.

Item Type:Article
Additional Information:Thanks to Elsevier editor. The definitive version is available at http://www.sciencedirect.com The original PDF of the article can be found at Chemical Engineering Research and Design website : http://www.sciencedirect.com/science/article/pii/S0263876216302143
HAL Id:hal-03139553
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:Other partners > Arkolia Energies (FRANCE)
French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Other partners > Sanofi Aventis (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Laboratory name:
Deposited On:12 Apr 2017 09:13

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