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Optimal experimental design for the precision of a subset of model parameters in process development

Lookup NU author(s): Dr Aidong Yang, Professor Elaine Martin, Professor Gary Montague


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Mathematical modelling is important for process development, but often requires a large amount of experimental effort to generate the necessary data. To reduce the effort, it is important to recognize that model parameters associated with transport phenomena may be less important than those of chemical kinetics in the early stage of development. This is because the characteristics of transport phenomena can change significantly between different process scales. Thus, the experimental effort in the early development stage can be reduced by applying optimal experimental design techniques which focus specifically on the precision of the subset of parameters pertining to the chemical kinetics. This idea, not reported previously in the literature, is tested through a simulated case study based on a toluene nitration process model. It is shown that subset parameter oriented designs outperform their full set counterpart in terms of achieving better precision of the chemical kinetic parameters with the same number of experiments, or requiring fewer experiments to achieve the same level of precision. © 2006 Elsevier B.V. All rights reserved.

Publication metadata

Author(s): Yang A, Martin E, Montague G, Morris J

Publication type: Article

Publication status: Published

Journal: Computer Aided Chemical Engineering

Year: 2006

Volume: 21

Issue: C

Pages: 563-568

ISSN (print): 1570-7946

ISSN (electronic):

Publisher: Elsevier BV


DOI: 10.1016/S1570-7946(06)80105-7


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