Kinetic for chemical reaction producing silaethylene from methylsilane at temperatures up to 2100 K

Sidorov D.V., Kirilin A.D., Shavnev A.A., Flotskiy А.А., Grunin А.А.
UDC
544.43
DOI
10.18577/2307-6046-2023-0-3-107-116
Article PDF (Russian) (631.82 KB)
How to cite
Sidorov D.V., Kirilin A.D., Shavnev A.A., Flotskiy А.А., Grunin А.А. Kinetic for chemical reaction producing silaethylene from methylsilane at temperatures up to 2100 K // Proceedings of VIAM. 2023. No. 3. DOI: 10.18577/2307-6046-2023-0-3-107-116. URL: https://test.viam.ru/en/journal/2023/3/10
Keywords
kinetic, thermodynamic parameters, activated complex theory, methylsilane, silaethylene, chemical reaction, quantum chemistry
Abstract

The article presents a theoretical study of the producing silaethylene from methylsilane chemical reaction kinetics at high temperatures. Quantum chemistry was used for calculating of thermodynamic parameters (changes of enthalpy, entropy, Gibbs free energy. The activated complex theory was taken for calculation values activation energy, equilibrium constant, rate of chemical reactions.We used a transitional state structure in the chemical reaction of methylsilane-silaethylene. The calculations have shown active formation of silaethylene from methylsilane at temperature above 1500 K.

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