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Variant and invariant states for chemical reaction systems
Ecole Polytech Fed Lausanne, Lab Automat, CH-1015 Lausanne, Switzerland.
2015 (English)In: Computers and Chemical Engineering, ISSN 0098-1354, E-ISSN 1873-4375, Vol. 73, p. 23-33Article in journal (Refereed) Published
Abstract [en]

Models of chemical reaction systems can be quite complex as they typically include information regarding the reactions, the inlet and outlet flows, the transfer of species between phases and the transfer of heat. This paper builds on the concept of reaction variants/invariants and proposes a linear transformation that allows viewing a complex nonlinear chemical 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 reactions and transport phenomena in open non-isothermal both homogeneous and heterogeneous reactors, (ii) the decoupling of spatially distributed reaction systems such as tubular reactors, and (iii) the potential use of the decoupling transformation for the analysis of complex reaction systems, in particular in the absence of a kinetic model.

Place, publisher, year, edition, pages
Elsevier, 2015. Vol. 73, p. 23-33
Keywords [en]
Chemical reaction systems; State decoupling; Reaction variants; Reaction invariants; Reaction extents
National Category
Control Engineering Chemical Process Engineering
Identifiers
URN: urn:nbn:se:kth:diva-248591DOI: 10.1016/j.compchemeng.2014.10.009ISI: 000349755100003Scopus ID: 2-s2.0-84923853838OAI: oai:DiVA.org:kth-248591DiVA, id: diva2:1303415
Note

QC 20190613

Available from: 2019-04-09 Created: 2019-04-09 Last updated: 2019-06-13Bibliographically approved

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