Lookup NU author(s): Dr Katarina Novakovic
This is the authors' accepted manuscript of an article that has been published in its final definitive form by AIP Publishing LLC, 2018.
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Stoichiometric Network Analysis (SNA) is a powerful method that can be used to examine instabilities in modelling a broad range of reaction systems without knowing the explicit values of reaction rate constants. Due to a lack of understanding, SNA is rarely used and its full potential is not yet fulfilled. Using the oscillatory carbonylation of a polymeric substrate [poly(ethylene glycol)methylether acetylene] as a case study, in this work, we consider two mathematical methods for the application of SNA to the reaction models when conservation constraints between species have an important role. The first method takes conservation constraints into account and uses only independent intermediate species, while the second method applies to the full set of intermediate species, without the separation of independent and dependent variables. Both methods are used for examination of steady state stability by means of a characteristic polynomial and related Jacobian matrix. It was shown that both methods give the same results. Therefore, as the second method is simpler, we suggest it as a more straightforward method for the applications.
Author(s): Cupic Z, Macesic S, Novakovic K, Anic S, Kolar-Anic L
Publication type: Article
Publication status: Published
Online publication date: 17/08/2018
Acceptance date: 26/07/2018
Date deposited: 04/10/2018
ISSN (print): 1054-1500
ISSN (electronic): 1089-7682
Publisher: AIP Publishing LLC
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