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Identification of chemical reaction mechanism from batch process data

Lookup NU author(s): Dr Dominic Searson, Samantha Burnham, Dr Mark Willis, Professor Allen Wright


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This paper demonstrates how, in principle, the structure of a set of ordinary differential equations representing a chemical mechanism (i.e. a reaction network) can be identified from experimental data obtained from a batch reactor. The proposed system identification method uses a non-linear basis function approach. A case study using noisy data from a simulated batch reactor is used to demonstrate the identification procedure for a reaction network containing 4 chemical species. It is shown that the method is capable of correctly identifying the underlying network of chemical reactions.

Publication metadata

Author(s): Searson DP, Burnham SC, Willis MJ, Wright AR

Editor(s): Wamkeue, R

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: Proceedings of the 17th IASTED International Conference on Modelling and Simulation

Year of Conference: 2006

Pages: 511-516

Publisher: ACTA Press

Library holdings: Search Newcastle University Library for this item

ISBN: 0889865949