Stoichiometric Network Analysis and Associated Dimensionless Kinetic Equations. Application to a Model of the Bray-Liebhafsky Reaction
Само за регистроване кориснике
2008
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
The stoichiometric network analysis (SNA) introduced by B. L. Clarke is applied to a simplified model of the complex oscillating Bray-Liebhafsky reaction under batch conditions, which was not examined by this method earlier. This powerful method for the analysis of steady-states stability is also used to transform the classical differential equations into dimensionless equations. This transformation is easy and leads to a form of the equations combining the advantages of classical dimensionless equations with the advantages of the SNA. The used dimensionless parameters have orders of magnitude given by the experimental information about concentrations and currents. This simplifies greatly the study of the slow manifold and shows which parameters are essential for controlling its shape and consequently have an important influence oil the trajectories. The effectiveness of these equations is illustrated on two examples: the study of the bifurcations points and a simple sensitivity analys...is, different from the classical one, more based on the chemistry of the studied system.
Извор:
Journal of Physical Chemistry A, 2008, 112, 51, 13452-13457Издавач:
- American Chemical Society (ACS)
Финансирање / пројекти:
- Физичка хемија динамичких стања и структура неравнотежних система - од монотоне до осцилаторне еволуције и хаоса (RS-MESTD-MPN2006-2010-142025)
- Синтеза, карактеризација и тестирање каталитичких својстава специјално дизајнираних материјала (RS-MESTD-MPN2006-2010-142019)
DOI: 10.1021/jp8056674
ISSN: 1089-5639
PubMed: 19093819
WoS: 000262018900024
Scopus: 2-s2.0-58149163150
Институција/група
IHTMTY - JOUR AU - Schmitz, Guy AU - Kolar-Anić, Ljiljana AU - Anić, Slobodan AU - Čupić, Željko PY - 2008 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/385 AB - The stoichiometric network analysis (SNA) introduced by B. L. Clarke is applied to a simplified model of the complex oscillating Bray-Liebhafsky reaction under batch conditions, which was not examined by this method earlier. This powerful method for the analysis of steady-states stability is also used to transform the classical differential equations into dimensionless equations. This transformation is easy and leads to a form of the equations combining the advantages of classical dimensionless equations with the advantages of the SNA. The used dimensionless parameters have orders of magnitude given by the experimental information about concentrations and currents. This simplifies greatly the study of the slow manifold and shows which parameters are essential for controlling its shape and consequently have an important influence oil the trajectories. The effectiveness of these equations is illustrated on two examples: the study of the bifurcations points and a simple sensitivity analysis, different from the classical one, more based on the chemistry of the studied system. PB - American Chemical Society (ACS) T2 - Journal of Physical Chemistry A T1 - Stoichiometric Network Analysis and Associated Dimensionless Kinetic Equations. Application to a Model of the Bray-Liebhafsky Reaction VL - 112 IS - 51 SP - 13452 EP - 13457 DO - 10.1021/jp8056674 ER -
@article{ author = "Schmitz, Guy and Kolar-Anić, Ljiljana and Anić, Slobodan and Čupić, Željko", year = "2008", abstract = "The stoichiometric network analysis (SNA) introduced by B. L. Clarke is applied to a simplified model of the complex oscillating Bray-Liebhafsky reaction under batch conditions, which was not examined by this method earlier. This powerful method for the analysis of steady-states stability is also used to transform the classical differential equations into dimensionless equations. This transformation is easy and leads to a form of the equations combining the advantages of classical dimensionless equations with the advantages of the SNA. The used dimensionless parameters have orders of magnitude given by the experimental information about concentrations and currents. This simplifies greatly the study of the slow manifold and shows which parameters are essential for controlling its shape and consequently have an important influence oil the trajectories. The effectiveness of these equations is illustrated on two examples: the study of the bifurcations points and a simple sensitivity analysis, different from the classical one, more based on the chemistry of the studied system.", publisher = "American Chemical Society (ACS)", journal = "Journal of Physical Chemistry A", title = "Stoichiometric Network Analysis and Associated Dimensionless Kinetic Equations. Application to a Model of the Bray-Liebhafsky Reaction", volume = "112", number = "51", pages = "13452-13457", doi = "10.1021/jp8056674" }
Schmitz, G., Kolar-Anić, L., Anić, S.,& Čupić, Ž.. (2008). Stoichiometric Network Analysis and Associated Dimensionless Kinetic Equations. Application to a Model of the Bray-Liebhafsky Reaction. in Journal of Physical Chemistry A American Chemical Society (ACS)., 112(51), 13452-13457. https://doi.org/10.1021/jp8056674
Schmitz G, Kolar-Anić L, Anić S, Čupić Ž. Stoichiometric Network Analysis and Associated Dimensionless Kinetic Equations. Application to a Model of the Bray-Liebhafsky Reaction. in Journal of Physical Chemistry A. 2008;112(51):13452-13457. doi:10.1021/jp8056674 .
Schmitz, Guy, Kolar-Anić, Ljiljana, Anić, Slobodan, Čupić, Željko, "Stoichiometric Network Analysis and Associated Dimensionless Kinetic Equations. Application to a Model of the Bray-Liebhafsky Reaction" in Journal of Physical Chemistry A, 112, no. 51 (2008):13452-13457, https://doi.org/10.1021/jp8056674 . .