Experimentally observable transitions between dynamical states in complex reaction systems
Abstract
Identification of trends and their correspondence with dynamical state transitions are briefly discussed oil several reaction network models. The influence of different threshold values oil the trend analysis and dynamical state analysis results is examined. Both methods are applied here to the results of the numerical simulation. For this purpose the models of three reaction systems are used: simple model of consecutive, first order, equilibrium reactions, partial oxidation of cyclohexane, and model of the oscillatory reaction Bray Liebhafsky. Detailed kinetic analysis confirmed that transient dynamical states may be identified through the symbolic representation of the sequence of trend episodes in experimentally obtainable time series. Stoichiometric Network Analysis of possible dynamical states was used to identify reaction pathways responsible for the sequences of trend episodes. Some technical problems were also addressed, connected with selection of the threshold value and dynam...ical state notion.
Keywords:
dynamical states / trend analysis / non-linear reaction kinetics / reaction pathways / non-linear chemical dynamics / chemical oscillationsSource:
Computers & Chemical Engineering, 2008, 32, 6, 1293-1304Publisher:
- Oxford : Pergamon-Elsevier Science Ltd
Funding / projects:
- Sinteza, karakterizacija i testiranje katalitičkih svojstava specijalno dizajniranih materijala (RS-142019)
DOI: 10.1016/j.compchemeng.2007.06.003
ISSN: 0098-1354
WoS: 000255671900016
Scopus: 2-s2.0-41249092939
Collections
Institution/Community
IHTMTY - JOUR AU - Čupić, Željko AU - Lončarević, Davor AU - Ivanović-Šašić, Ana AU - Banković, Predrag AU - Petrović, Srđan PY - 2008 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/424 AB - Identification of trends and their correspondence with dynamical state transitions are briefly discussed oil several reaction network models. The influence of different threshold values oil the trend analysis and dynamical state analysis results is examined. Both methods are applied here to the results of the numerical simulation. For this purpose the models of three reaction systems are used: simple model of consecutive, first order, equilibrium reactions, partial oxidation of cyclohexane, and model of the oscillatory reaction Bray Liebhafsky. Detailed kinetic analysis confirmed that transient dynamical states may be identified through the symbolic representation of the sequence of trend episodes in experimentally obtainable time series. Stoichiometric Network Analysis of possible dynamical states was used to identify reaction pathways responsible for the sequences of trend episodes. Some technical problems were also addressed, connected with selection of the threshold value and dynamical state notion. PB - Oxford : Pergamon-Elsevier Science Ltd T2 - Computers & Chemical Engineering T1 - Experimentally observable transitions between dynamical states in complex reaction systems VL - 32 IS - 6 SP - 1293 EP - 1304 DO - 10.1016/j.compchemeng.2007.06.003 ER -
@article{ author = "Čupić, Željko and Lončarević, Davor and Ivanović-Šašić, Ana and Banković, Predrag and Petrović, Srđan", year = "2008", abstract = "Identification of trends and their correspondence with dynamical state transitions are briefly discussed oil several reaction network models. The influence of different threshold values oil the trend analysis and dynamical state analysis results is examined. Both methods are applied here to the results of the numerical simulation. For this purpose the models of three reaction systems are used: simple model of consecutive, first order, equilibrium reactions, partial oxidation of cyclohexane, and model of the oscillatory reaction Bray Liebhafsky. Detailed kinetic analysis confirmed that transient dynamical states may be identified through the symbolic representation of the sequence of trend episodes in experimentally obtainable time series. Stoichiometric Network Analysis of possible dynamical states was used to identify reaction pathways responsible for the sequences of trend episodes. Some technical problems were also addressed, connected with selection of the threshold value and dynamical state notion.", publisher = "Oxford : Pergamon-Elsevier Science Ltd", journal = "Computers & Chemical Engineering", title = "Experimentally observable transitions between dynamical states in complex reaction systems", volume = "32", number = "6", pages = "1293-1304", doi = "10.1016/j.compchemeng.2007.06.003" }
Čupić, Ž., Lončarević, D., Ivanović-Šašić, A., Banković, P.,& Petrović, S.. (2008). Experimentally observable transitions between dynamical states in complex reaction systems. in Computers & Chemical Engineering Oxford : Pergamon-Elsevier Science Ltd., 32(6), 1293-1304. https://doi.org/10.1016/j.compchemeng.2007.06.003
Čupić Ž, Lončarević D, Ivanović-Šašić A, Banković P, Petrović S. Experimentally observable transitions between dynamical states in complex reaction systems. in Computers & Chemical Engineering. 2008;32(6):1293-1304. doi:10.1016/j.compchemeng.2007.06.003 .
Čupić, Željko, Lončarević, Davor, Ivanović-Šašić, Ana, Banković, Predrag, Petrović, Srđan, "Experimentally observable transitions between dynamical states in complex reaction systems" in Computers & Chemical Engineering, 32, no. 6 (2008):1293-1304, https://doi.org/10.1016/j.compchemeng.2007.06.003 . .