Identification of Chemical Reaction Mechanism from Batch Process Data

D.P. Searson, S.C. Burnham, M.J. Willis, and A.R. Wright (UK)


Modelling, chemical reaction networks, batch process.


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.

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