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 oscillations
Source:
Computers & Chemical Engineering, 2008, 32, 6, 1293-1304
TY - 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 . .
