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research article

Maximum-likelihood estimation of kinetic parameters via the extent-based incremental approach

Rodrigues, D.
•
Billeter, J.  
•
Bonvin, D.
March 4, 2019
Computers & Chemical Engineering

For lumped homogeneous reaction systems, this paper presents a kinetic model identification scheme that provides maximum-likelihood parameter estimates and guarantees convergence to global optimality. The use of the extent-based incremental approach allows one to (i) identify each reaction individually, and (ii) reduce the number of parameters to be identified via optimization to the ones that appear non-linearly in the investigated rate law. The approach results in maximum-likelihood parameter estimation if the experimental extents are uncorrelated and the rate estimates used to compute the modeled extents are unbiased. Furthermore, the identification problem can be rearranged via Taylor series expansion as a polynomial optimization problem. This optimization problem is then reformulated as a convex optimization problem that can be solved efficiently to global optimality. Different aspects of the approach are demonstrated via simulated examples. (C) 2018 Elsevier Ltd. All rights reserved.

  • Details
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Type
research article
DOI
10.1016/j.compchemeng.2018.05.024
Web of Science ID

WOS:000464531300013

Author(s)
Rodrigues, D.
•
Billeter, J.  
•
Bonvin, D.
Date Issued

2019-03-04

Publisher

PERGAMON-ELSEVIER SCIENCE LTD

Published in
Computers & Chemical Engineering
Volume

122

Start page

152

End page

171

Subjects

Computer Science, Interdisciplinary Applications

•

Engineering, Chemical

•

Computer Science

•

Engineering

•

reaction systems

•

global optimization

•

maximum-likelihood estimation

•

kinetic identification

•

extents

•

identification

•

optimization

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LA  
LA3  
Available on Infoscience
April 28, 2019
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/156150
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