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Oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene. Improved model of reaction mechanism

Authorized Users Only
2022
Authors
Čupić, Željko
Maćešić, Stevan
Anić, Slobodan
Kolar-Anić, Ljiljana
Ivanović-Šašić, Ana
Novaković, Katarina
Article (Published version)
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Abstract
The study presents a mathematical model of Bruk Temkin-Gorodsky Novakovic (BT-GN) reaction system employing palladium-catalyzed oscillatory carbonylation reaction of mono alkyne-terminated poly(ethylene glycol) methyl ether. The proposed model advances simulation capabilities of this particular chemical oscillator but also BT-GN reactions in general. The model was verified using experimental data where good agreement is achieved and existence of complex pH oscillations like burst oscillations was matched. Furthermore, the model was used to predict reaction conditions capable of producing further complexities and initial conditions that would lead to desired period of pH oscillations. Having such a powerful tool, enhances our capabilities to study and further develop BT-GN oscillators with a reduced experimental effort.
Keywords:
Carbonylation / Oscillatory chemical reaction / Palladium iodide / Poly(ethylene glycol)methyl ether acetylene / Карбонилација / Осцилаторна хемијска реакција / Паладијум јодид / Поли(етилен гликол)метил етар ацетилен
Source:
Reaction Kinetics, Mechanisms and Catalysis, 2022, 135, 1, 3-14
Publisher:
  • Springer
Funding / projects:
  • Engineering and Physical Sciences Research Council (EP/N033655/1)
  • Dynamics of nonlinear physicochemical and biochemical systems with modeling and predicting of their behavior under nonequilibrium conditions (RS-172015)
  • Nanostructured Functional and Composite Materials in Catalytic and Sorption Processes (RS-45001)
  • Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) (RS-200026)
  • Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200146 (University of Belgrade, Faculty of Physical Chemistry) (RS-200146)

DOI: 10.1007/s11144-021-02148-9

ISSN: 1878-5204; 1878-5190

WoS: 000740390200002

Scopus: 2-s2.0-85122670786
[ Google Scholar ]
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/5293
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - JOUR
AU  - Čupić, Željko
AU  - Maćešić, Stevan
AU  - Anić, Slobodan
AU  - Kolar-Anić, Ljiljana
AU  - Ivanović-Šašić, Ana
AU  - Novaković, Katarina
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5293
AB  - The study presents a mathematical model of Bruk Temkin-Gorodsky Novakovic (BT-GN) reaction system employing palladium-catalyzed oscillatory carbonylation reaction of mono alkyne-terminated poly(ethylene glycol) methyl ether. The proposed model advances simulation capabilities of this particular chemical oscillator but also BT-GN reactions in general. The model was verified using experimental data where good agreement is achieved and existence of complex pH oscillations like burst oscillations was matched. Furthermore, the model was used to predict reaction conditions capable of producing further complexities and initial conditions that would lead to desired period of pH oscillations. Having such a powerful tool, enhances our capabilities to study and further develop BT-GN oscillators with a reduced experimental effort.
PB  - Springer
T2  - Reaction Kinetics, Mechanisms and Catalysis
T1  - Oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene. Improved model of reaction mechanism
VL  - 135
IS  - 1
SP  - 3
EP  - 14
DO  - 10.1007/s11144-021-02148-9
ER  - 
@article{
author = "Čupić, Željko and Maćešić, Stevan and Anić, Slobodan and Kolar-Anić, Ljiljana and Ivanović-Šašić, Ana and Novaković, Katarina",
year = "2022",
abstract = "The study presents a mathematical model of Bruk Temkin-Gorodsky Novakovic (BT-GN) reaction system employing palladium-catalyzed oscillatory carbonylation reaction of mono alkyne-terminated poly(ethylene glycol) methyl ether. The proposed model advances simulation capabilities of this particular chemical oscillator but also BT-GN reactions in general. The model was verified using experimental data where good agreement is achieved and existence of complex pH oscillations like burst oscillations was matched. Furthermore, the model was used to predict reaction conditions capable of producing further complexities and initial conditions that would lead to desired period of pH oscillations. Having such a powerful tool, enhances our capabilities to study and further develop BT-GN oscillators with a reduced experimental effort.",
publisher = "Springer",
journal = "Reaction Kinetics, Mechanisms and Catalysis",
title = "Oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene. Improved model of reaction mechanism",
volume = "135",
number = "1",
pages = "3-14",
doi = "10.1007/s11144-021-02148-9"
}
Čupić, Ž., Maćešić, S., Anić, S., Kolar-Anić, L., Ivanović-Šašić, A.,& Novaković, K.. (2022). Oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene. Improved model of reaction mechanism. in Reaction Kinetics, Mechanisms and Catalysis
Springer., 135(1), 3-14.
https://doi.org/10.1007/s11144-021-02148-9
Čupić Ž, Maćešić S, Anić S, Kolar-Anić L, Ivanović-Šašić A, Novaković K. Oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene. Improved model of reaction mechanism. in Reaction Kinetics, Mechanisms and Catalysis. 2022;135(1):3-14.
doi:10.1007/s11144-021-02148-9 .
Čupić, Željko, Maćešić, Stevan, Anić, Slobodan, Kolar-Anić, Ljiljana, Ivanović-Šašić, Ana, Novaković, Katarina, "Oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene. Improved model of reaction mechanism" in Reaction Kinetics, Mechanisms and Catalysis, 135, no. 1 (2022):3-14,
https://doi.org/10.1007/s11144-021-02148-9 . .

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