Oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene. Improved model of reaction mechanism
Samo za registrovane korisnike
2022
Autori
Čupić, ŽeljkoMaćešić, Stevan
Anić, Slobodan
Kolar-Anić, Ljiljana
Ivanović-Šašić, Ana
Novaković, Katarina
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
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.
Ključne reči:
Carbonylation / Oscillatory chemical reaction / Palladium iodide / Poly(ethylene glycol)methyl ether acetylene / Карбонилација / Осцилаторна хемијска реакција / Паладијум јодид / Поли(етилен гликол)метил етар ацетиленIzvor:
Reaction Kinetics, Mechanisms and Catalysis, 2022, 135, 1, 3-14Izdavač:
- Springer
Finansiranje / projekti:
- Engineering and Physical Sciences Research Council (EP/N033655/1)
- Dinamika nelinearnih fizičkohemijskih i biohemijskih sistema sa modeliranjem i predviđanjem njihovih ponašanja pod neravnotežnim uslovima (RS-MESTD-Basic Research (BR or ON)-172015)
- Nanostrukturni funkcionalni i kompozitni materijali u katalitičkim i sorpcionim procesima (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45001)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200026 (Univerzitet u Beogradu, Institut za hemiju, tehnologiju i metalurgiju - IHTM) (RS-MESTD-inst-2020-200026)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200146 (Univerzitet u Beogradu, Fakultet za fizičku hemiju) (RS-MESTD-inst-2020-200146)
DOI: 10.1007/s11144-021-02148-9
ISSN: 1878-5204; 1878-5190
WoS: 000740390200002
Scopus: 2-s2.0-85122670786
Institucija/grupa
IHTMTY - 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 . .