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Stoichiometric Network Analysis of a Reaction System With Conservation Constraints

Stoichiometric Network Analysis of a Reaction System With Conservation Constraints

Željko Čupić, Stevan Maćešić, Katarina Novakovic, Slobodan Anić, Ljiljana Kolar-Anić

Chaos. 2018 Aug;28(8):083114.

PMID: 30180608

Abstract:

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)methyl ether 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.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
LS7411197	Poly(ethylene glycol)methyl ether acetylene			Price

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