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research article

Incremental Identification of Reaction and Mass-Transfer Kinetics Using the Concept of Extents

Bhatt, Nirav
•
Amrhein, Michael  
•
Bonvin, Dominique  
2011
Industrial & Engineering Chemistry Research

This paper proposes a variation of the incremental approach to identify reaction and mass-transfer kinetics (rate expressions and the corresponding rate parameters) from concentration measurements for both homogeneous and gas-liquid reaction systems. This incremental approach proceeds in two steps: (i) computation of the extents of reaction and mass transfer from concentration measurements without explicit knowledge of the reaction and mass-transfer rate expressions, and (ii) estimation of the rate parameters for each rate expression individually from the computed extents using the integral method. The novelty consists in using extents that are computed from measured concentrations. For the computation of the individual extents, two cases are considered: if the concentrations of all the liquid-phase species can be measured, a linear transformation is used; otherwise, if the concentrations of only a subset of the liquid-phase species are available, an approach that uses flowrate and possibly gas-phase concentration measurements is proposed. The incremental identification approach is illustrated in simulation via two reaction systems, namely the homogeneous acetoacetylation of pyrrole and the gas-liquid chlorination of butanoic acid.

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Type
research article
DOI
10.1021/ie2007196
Web of Science ID

WOS:000297445500012

Author(s)
Bhatt, Nirav
•
Amrhein, Michael  
•
Bonvin, Dominique  
Date Issued

2011

Published in
Industrial & Engineering Chemistry Research
Volume

50

Issue

23

Start page

12960

End page

12974

Subjects

Incremental identification

•

Reaction Systems

•

Kinetic

•

Transport phenomena

•

Extent of reaction

•

Extent of mass transfer

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LA  
Available on Infoscience
April 13, 2011
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/66402
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