TY  - JOUR
AU  - Macesic, Stevan
AU  - Čupić, Željko
AU  - Ivanović-Šašić, Ana
AU  - Anić, Slobodan
AU  - Radenkovic, Mirjana
AU  - Pejić, Nataša
AU  - Kolar-Anić, Ljiljana
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2461
AB  - In this paper, we intend to show the importance of the bifurcation analysis in understanding of an oscillatory process. Hence, we use the bifurcation diagram of the Bray-Liebhafsky reaction performed in continuous well-stirred tank reactor under controlled temperature variations for the determination of the activation energies as well as rate constants of particular steps appearing in the kinetic model of oscillatory reaction mechanism. This approach has led us to the development of general procedure for treatment of experimentally obtained data and extracting kinetic parameters from them, which was very important considering that some rate constants of the already proposed model could not be determined experimentally and have to be fitted (or guessed). Also, the proposed approach has the potential to inspire the refinement of already proposed models and the development of a new one that will be able to reproduce experimentally obtained system's dynamical features more successfully. In particular, the dynamic states of the Bray-Liebhafsky oscillatory reaction have been analyzed experimentally and numerically using already proposed model together with qualitative and quantitative analysis of bifurcation diagrams in both cases.
PB  - Springer Netherlands
T2  - Reaction Kinetics, Mechanisms and Catalysis
T1  - Bifurcation analysis: a tool for determining model parameters of the considered process
VL  - 123
IS  - 1
SP  - 31
EP  - 45
DO  - 10.1007/s11144-017-1324-6
ER  - 

@article{
author = "Macesic, Stevan and Čupić, Željko and Ivanović-Šašić, Ana and Anić, Slobodan and Radenkovic, Mirjana and Pejić, Nataša and Kolar-Anić, Ljiljana",
year = "2018",
abstract = "In this paper, we intend to show the importance of the bifurcation analysis in understanding of an oscillatory process. Hence, we use the bifurcation diagram of the Bray-Liebhafsky reaction performed in continuous well-stirred tank reactor under controlled temperature variations for the determination of the activation energies as well as rate constants of particular steps appearing in the kinetic model of oscillatory reaction mechanism. This approach has led us to the development of general procedure for treatment of experimentally obtained data and extracting kinetic parameters from them, which was very important considering that some rate constants of the already proposed model could not be determined experimentally and have to be fitted (or guessed). Also, the proposed approach has the potential to inspire the refinement of already proposed models and the development of a new one that will be able to reproduce experimentally obtained system's dynamical features more successfully. In particular, the dynamic states of the Bray-Liebhafsky oscillatory reaction have been analyzed experimentally and numerically using already proposed model together with qualitative and quantitative analysis of bifurcation diagrams in both cases.",
publisher = "Springer Netherlands",
journal = "Reaction Kinetics, Mechanisms and Catalysis",
title = "Bifurcation analysis: a tool for determining model parameters of the considered process",
volume = "123",
number = "1",
pages = "31-45",
doi = "10.1007/s11144-017-1324-6"
}

Macesic, S., Čupić, Ž., Ivanović-Šašić, A., Anić, S., Radenkovic, M., Pejić, N.,& Kolar-Anić, L.. (2018). Bifurcation analysis: a tool for determining model parameters of the considered process. in Reaction Kinetics, Mechanisms and Catalysis
Springer Netherlands., 123(1), 31-45.
https://doi.org/10.1007/s11144-017-1324-6

Macesic S, Čupić Ž, Ivanović-Šašić A, Anić S, Radenkovic M, Pejić N, Kolar-Anić L. Bifurcation analysis: a tool for determining model parameters of the considered process. in Reaction Kinetics, Mechanisms and Catalysis. 2018;123(1):31-45.
doi:10.1007/s11144-017-1324-6 .

Macesic, Stevan, Čupić, Željko, Ivanović-Šašić, Ana, Anić, Slobodan, Radenkovic, Mirjana, Pejić, Nataša, Kolar-Anić, Ljiljana, "Bifurcation analysis: a tool for determining model parameters of the considered process" in Reaction Kinetics, Mechanisms and Catalysis, 123, no. 1 (2018):31-45,
https://doi.org/10.1007/s11144-017-1324-6 . .

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 . .