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.
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Acknowledgements
KN would like to acknowledge UK Engineering and Physical Sciences Research Council (EPSRC) grant number EP/N033655/1 for financial support. Support from the Ministry of Education, Science and Technological Development of the Republic of Serbia (Grant Numbers 172015 and 45001, and Contract numbers 451-03-9/2021-14/200026 and 451-03-9/2021-14/200146), is gratefully acknowledged by ŽČ, SM, SA, LjKA and AIŠ.
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Čupić, Ž., Maćešić, S., Anić, S. et al. Oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene. Improved model of reaction mechanism. Reac Kinet Mech Cat 135, 3–14 (2022). https://doi.org/10.1007/s11144-021-02148-9
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DOI: https://doi.org/10.1007/s11144-021-02148-9