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

Lookup NU author(s): Dr Macesic Macesic, Dr Katarina Novakovic

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This is the authors' accepted manuscript of an article that has been published in its final definitive form by Springer, 2022.

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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.


Publication metadata

Author(s): Cupic Z, Macesic S, Anic S, Kolar-Anic Lj, Ivanovic-Sasic A, Novakovic K

Publication type: Article

Publication status: Published

Journal: Reaction Kinetics, Mechanisms and Catalysis

Year: 2022

Issue: ePub ahead of Print

Pages: 1-12

Online publication date: 08/01/2022

Acceptance date: 30/12/2021

Date deposited: 19/01/2022

ISSN (print): 1878-5190

ISSN (electronic): 1878-5204

Publisher: Springer

URL: https://doi.org/10.1007/s11144-021-02148-9

DOI: 10.1007/s11144-021-02148-9


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