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Sequential Experimental Design Strategy for Rapid Kinetic Modeling of Chemical Synthesis

Issanchou, Sébastien and Cabassud, Michel and Cognet, Patrick Sequential Experimental Design Strategy for Rapid Kinetic Modeling of Chemical Synthesis. (2005) AIChE Journal, 5 (6). 1773-1781. ISSN 0001-1541

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Official URL: http://dx.doi.org/10.1002/aic.10439


In this work, an optimum experimental design strategy has been developed to increase the reliability of chemical reaction engineering models when few experiments are to be performed. The strategy has been used for heterogeneous liquid–liquid reactions carried out in a batch reactor. The specific case of alkaline hydrolysis of n-amylacetate has been selected to illustrate the proposed methodology, allowing experiments to be carried out to identify the associated kinetic parameters. The kinetic parameters that arise from the model system of ordinary differential equations have been estimated by weighted least squares and a D-optimum sequential design has been implemented to reduce the volume of the joint confidence region of the parameters. Estimates and their uncertainty obtained at the end of the strategy, as well as the generalization ability of the prediction model, are presented and discussed.

Item Type:Article
HAL Id:hal-03482736
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Laboratory name:
Laboratoire de Génie Chimique - LGC (Toulouse, France) - Réaction, mélange & séparation (RMS)
Deposited On:07 Nov 2008 14:07

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