TY  - JOUR
AU  - Čupić, Željko
AU  - Macesic, Stevan
AU  - Novaković, Katarina
AU  - Anić, Slobodan
AU  - Kolar-Anić, Ljiljana
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2431
AB  - 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. Published by AIP Publishing.
PB  - Amer Inst Physics, Melville
T2  - Chaos
T1  - Stoichiometric network analysis of a reaction system with conservation constraints
VL  - 28
IS  - 8
SP  - 083114
DO  - 10.1063/1.5026791
ER  - 

@article{
author = "Čupić, Željko and Macesic, Stevan and Novaković, Katarina and Anić, Slobodan and Kolar-Anić, Ljiljana",
year = "2018",
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. Published by AIP Publishing.",
publisher = "Amer Inst Physics, Melville",
journal = "Chaos",
title = "Stoichiometric network analysis of a reaction system with conservation constraints",
volume = "28",
number = "8",
pages = "083114",
doi = "10.1063/1.5026791"
}

Čupić, Ž., Macesic, S., Novaković, K., Anić, S.,& Kolar-Anić, L.. (2018). Stoichiometric network analysis of a reaction system with conservation constraints. in Chaos
Amer Inst Physics, Melville., 28(8), 083114.
https://doi.org/10.1063/1.5026791

Čupić Ž, Macesic S, Novaković K, Anić S, Kolar-Anić L. Stoichiometric network analysis of a reaction system with conservation constraints. in Chaos. 2018;28(8):083114.
doi:10.1063/1.5026791 .

Čupić, Željko, Macesic, Stevan, Novaković, Katarina, Anić, Slobodan, Kolar-Anić, Ljiljana, "Stoichiometric network analysis of a reaction system with conservation constraints" in Chaos, 28, no. 8 (2018):083114,
https://doi.org/10.1063/1.5026791 . .