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Bifurcation analysis of the reduced model of the Bray-Liebhafsky reaction

Samo za registrovane korisnike
2016
Autori
Macesic, Stevan
Čupić, Željko
Kolar-Anić, Ljiljana
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentu
Apstrakt
In this paper, an already published model of the Bray-Liebhafsky reaction was improved by removing the direct autoinhibitory step, which resulted in a new variant of the model with more realistic kinetic scheme than the earlier version. The obtained variant of the model retains all intermediate species (I-, HIO, HIO2 and I-2) that were present in the previous model and has one reaction less. Stability analysis of the improved model was performed by stoichiometric network analysis (SNA). By this method, it was shown that improved model can simulate Andronov-Hopf and saddle-node bifurcations. In order to confirm the results of SNA, bifurcation analysis was performed with the initial concentrations of [H2O2](0) as the control parameter. With selected set of rate constants and constant concentrations of external species, two Andronov-Hopf bifurcations were detected at [H2O2](0) = 5.62 x 10(-2) M and [H2O2](0) = 10.73 M, while the rate constants ought to be changed for a saddle-node to occu...r. Bifurcation analysis also showed that the interaction between intermediate species I-, HIO and HIO2 has a crucial impact on the emergence of Andronov-Hopf bifurcation.

Ključne reči:
Bifurcation analysis / Andronov-Hopf bifurcation / Bray-Liebhafsky oscillatory reaction / Stoichiometric network analysis (SNA) / Steady state stability
Izvor:
Reaction Kinetics, Mechanisms and Catalysis, 2016, 118, 1, 39-55
Izdavač:
  • Springer Netherlands
Projekti:
  • Dinamika nelinearnih fizičkohemijskih i biohemijskih sistema sa modeliranjem i predviđanjem njihovih ponašanja pod neravnotežnim uslovima (RS-172015)
  • Nanostrukturni funkcionalni i kompozitni materijali u katalitičkim i sorpcionim procesima (RS-45001)

DOI: 10.1007/s11144-016-1000-2

ISSN: 1878-5190

WoS: 000376107700005

Scopus: 2-s2.0-84984593105
[ Google Scholar ]
7
7
URI
http://cer.ihtm.bg.ac.rs/handle/123456789/2000
Kolekcije
  • Radovi istraživača / Researchers' publications
Institucija
IHTM
TY  - JOUR
AU  - Macesic, Stevan
AU  - Čupić, Željko
AU  - Kolar-Anić, Ljiljana
PY  - 2016
UR  - http://cer.ihtm.bg.ac.rs/handle/123456789/2000
AB  - In this paper, an already published model of the Bray-Liebhafsky reaction was improved by removing the direct autoinhibitory step, which resulted in a new variant of the model with more realistic kinetic scheme than the earlier version. The obtained variant of the model retains all intermediate species (I-, HIO, HIO2 and I-2) that were present in the previous model and has one reaction less. Stability analysis of the improved model was performed by stoichiometric network analysis (SNA). By this method, it was shown that improved model can simulate Andronov-Hopf and saddle-node bifurcations. In order to confirm the results of SNA, bifurcation analysis was performed with the initial concentrations of [H2O2](0) as the control parameter. With selected set of rate constants and constant concentrations of external species, two Andronov-Hopf bifurcations were detected at [H2O2](0) = 5.62 x 10(-2) M and [H2O2](0) = 10.73 M, while the rate constants ought to be changed for a saddle-node to occur. Bifurcation analysis also showed that the interaction between intermediate species I-, HIO and HIO2 has a crucial impact on the emergence of Andronov-Hopf bifurcation.
PB  - Springer Netherlands
T2  - Reaction Kinetics, Mechanisms and Catalysis
T1  - Bifurcation analysis of the reduced model of the Bray-Liebhafsky reaction
VL  - 118
IS  - 1
SP  - 39
EP  - 55
DO  - 10.1007/s11144-016-1000-2
ER  - 
@article{
author = "Macesic, Stevan and Čupić, Željko and Kolar-Anić, Ljiljana",
year = "2016",
url = "http://cer.ihtm.bg.ac.rs/handle/123456789/2000",
abstract = "In this paper, an already published model of the Bray-Liebhafsky reaction was improved by removing the direct autoinhibitory step, which resulted in a new variant of the model with more realistic kinetic scheme than the earlier version. The obtained variant of the model retains all intermediate species (I-, HIO, HIO2 and I-2) that were present in the previous model and has one reaction less. Stability analysis of the improved model was performed by stoichiometric network analysis (SNA). By this method, it was shown that improved model can simulate Andronov-Hopf and saddle-node bifurcations. In order to confirm the results of SNA, bifurcation analysis was performed with the initial concentrations of [H2O2](0) as the control parameter. With selected set of rate constants and constant concentrations of external species, two Andronov-Hopf bifurcations were detected at [H2O2](0) = 5.62 x 10(-2) M and [H2O2](0) = 10.73 M, while the rate constants ought to be changed for a saddle-node to occur. Bifurcation analysis also showed that the interaction between intermediate species I-, HIO and HIO2 has a crucial impact on the emergence of Andronov-Hopf bifurcation.",
publisher = "Springer Netherlands",
journal = "Reaction Kinetics, Mechanisms and Catalysis",
title = "Bifurcation analysis of the reduced model of the Bray-Liebhafsky reaction",
volume = "118",
number = "1",
pages = "39-55",
doi = "10.1007/s11144-016-1000-2"
}
Macesic S, Čupić Ž, Kolar-Anić L. Bifurcation analysis of the reduced model of the Bray-Liebhafsky reaction. Reaction Kinetics, Mechanisms and Catalysis. 2016;118(1):39-55
Macesic, S., Čupić, Ž.,& Kolar-Anić, L. (2016). Bifurcation analysis of the reduced model of the Bray-Liebhafsky reaction.
Reaction Kinetics, Mechanisms and CatalysisSpringer Netherlands., 118(1), 39-55.
https://doi.org/10.1007/s11144-016-1000-2
Macesic Stevan, Čupić Željko, Kolar-Anić Ljiljana, "Bifurcation analysis of the reduced model of the Bray-Liebhafsky reaction" 118, no. 1 (2016):39-55,
https://doi.org/10.1007/s11144-016-1000-2 .

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