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research article

On decoupling rate processes in chemical reaction systems - Methods and applications

Billeter, J
•
Rodrigues, D
•
Srinivasan, S
Show more
2018
Computers and Chemical Engineering

Models of chemical reaction systems can be complex as they need to include information regarding the reactions and the mass and heat transfers. The commonly used state variables, namely, concentrations and temperatures, express the interplay between many phenomena. As a consequence, each state variable is affected by several rate processes. On the other hand, it is well known that it is possible to partition the state space into a reaction invariant subspace and its orthogonal complement using a linear transformation involving the reaction stoichiometry. This paper uses a more sophisticated linear transformation to partition the state space into various subspaces, each one linked to a single rate process such as a particular reaction, mass transfer or heat transfer. The implications of this partitioning are discussed with respect to several applications related to data reconciliation, state and rate estimation, modeling, identification, control and optimization of reaction systems.

  • Details
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Type
research article
DOI
10.1016/j.compchemeng.2017.09.021
Web of Science ID

WOS:000439701100026

Author(s)
Billeter, J
Rodrigues, D
Srinivasan, S
Amrhein, M
Bonvin, D
Date Issued

2018

Published in
Computers and Chemical Engineering
Volume

114

Start page

296

End page

305

Subjects

Chemical reaction systems

•

Reaction variants

•

Vessel extents

•

Data reconciliation

•

State and rate estimation

•

Modeling and identification

•

Control and optimization

Note

CPC Special Issue.

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LA3  
Available on Infoscience
November 8, 2018
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/150701
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