Bifurcation analysis: a tool for determining model parameters of the considered process
Само за регистроване кориснике
2018
Аутори
Maćešić, StevanČupić, Željko
Ivanović-Šašic, Ana
Anić, Slobodan
Radenković, Mirjana
Pejić, Nataša
Kolar-Anić, Ljiljana
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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 systems 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.
Кључне речи:
Nonlinear dynamics / Bifurcation analysis / Bray-Liebhafsky oscillatory reaction / Modelling / CSTRИзвор:
Reaction Kinetics, Mechanisms and Catalysis, 2018, 123, 1, 31-45Финансирање / пројекти:
- Динамика нелинеарних физичкохемијских и биохемијских система са моделирањем и предвиђањем њихових понашања под неравнотежним условима (RS-MESTD-Basic Research (BR or ON)-172015)
- Наноструктурни функционални и композитни материјали у каталитичким и сорпционим процесима (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45001)
- Нове технологије за мониторинг и заштиту животног окружења од штетних хемијских супстанци и радијационог оптерећења (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-43009)
DOI: 10.1007/s11144-017-1324-6
ISSN: 1878-5190; 1878-5204
WoS: 000419514200003
Scopus: 2-s2.0-85035793444
Институција/група
VinčaTY - JOUR AU - Maćešić, Stevan AU - Čupić, Željko AU - Ivanović-Šašic, Ana AU - Anić, Slobodan AU - Radenković, Mirjana AU - Pejić, Nataša AU - Kolar-Anić, Ljiljana PY - 2018 UR - https://vinar.vin.bg.ac.rs/handle/123456789/1901 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 systems 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. 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 = "Maćešić, Stevan and Čupić, Željko and Ivanović-Šašic, Ana and Anić, Slobodan and Radenković, 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 systems 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.", 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" }
Maćešić, S., Čupić, Ž., Ivanović-Šašic, A., Anić, S., Radenković, 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, 123(1), 31-45. https://doi.org/10.1007/s11144-017-1324-6
Maćešić S, Čupić Ž, Ivanović-Šašic A, Anić S, Radenković 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 .
Maćešić, Stevan, Čupić, Željko, Ivanović-Šašic, Ana, Anić, Slobodan, Radenković, 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 . .