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  4. Revisiting the concept of extents for chemical reaction systems using an enthalpy balance
 
research article

Revisiting the concept of extents for chemical reaction systems using an enthalpy balance

Ha Hoang, N.
•
Rodrigues, D.
•
Bonvin, D.  
May 8, 2020
Computers & Chemical Engineering

For the investigation of complex reaction systems, it has been proposed to decouple the various rate processes using a linear time-invariant transformation that is constructed from knowledge of stoichiometry, reaction enthalpies, inlet compositions and temperatures, and initial conditions, that is, without any kinetic information. The resulting transformed system is expressed in terms of vessel extents. The transformation uses a heat balance that is written in terms of reaction enthalpies evaluated at some reference temperature.

This paper revisits the transformation to vessel extents using an enthalpy balance instead of the heat balance. In this transformation, the reaction enthalpies are not used explicitly. However, it is shown that, provided a not very restrictive assumption holds, the enthalpy balance equation is equivalent to the heat balance equation written with constant reaction enthalpies at some reference temperature. The two transformations to vessel extents are compared, first formally and then numerically via a simulated CSTR example. (C) 2019 Elsevier Ltd. All rights reserved.

  • Details
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Type
research article
DOI
10.1016/j.compchemeng.2019.106652
Web of Science ID

WOS:000525867600022

Author(s)
Ha Hoang, N.
Rodrigues, D.
Bonvin, D.  
Date Issued

2020-05-08

Publisher

PERGAMON-ELSEVIER SCIENCE LTD

Published in
Computers & Chemical Engineering
Volume

136

Article Number

106652

Subjects

Computer Science, Interdisciplinary Applications

•

Engineering, Chemical

•

Computer Science

•

Engineering

•

reaction systems

•

vessel extents

•

heat exchange

•

heat balance

•

enthalpy balance

•

reaction invariants

•

flow

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LA  
LCSB  
Available on Infoscience
April 30, 2020
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/168483
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