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research article

Variant and Invariant States for Chemical Reaction Systems

Rodrigues, Diogo  
•
Srinivasan, Sriniketh  
•
Billeter, Julien  
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2015
Computers and Chemical Engineering

Models of open non-isothermal heterogeneous reaction systems can be quite complex as they include information regarding the reactions, the inlet and outlet flows, the transfer of species between phases and the transfer of energy. This paper builds on the concept of reaction variants and invariants and proposes a linear transformation that allows viewing a complex nonlinear reaction system via decoupled dynamic variables, each one associated with a particular phenomenon such as a single chemical reaction, a specific mass transfer or heat transfer. Three aspects are discussed, namely, (i) the decoupling of reaction and transport phenomena in open non-isothermal both homogeneous and heterogeneous reactors, (ii) the decoupling of spatially distributed systems such as tubular reactors, and (iii) the applicability of the decoupling transformation towards the analysis of complex reaction systems, in particular with respect to the analysis of measured data in the absence of a kinetic model.

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Type
research article
DOI
10.1016/j.compchemeng.2014.10.009
Web of Science ID

WOS:000349755100003

Author(s)
Rodrigues, Diogo  
Srinivasan, Sriniketh  
Billeter, Julien  
Bonvin, Dominique  
Date Issued

2015

Publisher

Elsevier

Published in
Computers and Chemical Engineering
Volume

73

Start page

23

End page

33

Subjects

Reaction systems

•

State decoupling

•

Reaction variants

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Reaction invariants

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Reaction extents

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State reconstruction

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Kinetic identification

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LA  
Available on Infoscience
August 7, 2014
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/105434
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