The Use of Hybrid Genetic Algorithm in the Kinetic Analysis of Thermal Decomposition of [Ni(C2H8N2)3](ClO4)2 with Overlapping Stages | Sciact - CRIS-system of Boreskov Institute of Catalysis

The Use of Hybrid Genetic Algorithm in the Kinetic Analysis of Thermal Decomposition of [Ni(C2H8N2)3](ClO4)2 with Overlapping Stages Full article

Journal

Materials
ISSN: 1996-1944

Output data

Year: 2023, Volume: 16, Number: 1, Article number : 90, Pages count : 18 DOI: 10.3390/ma16010090

Tags

thermal analysis; dynamic mass-spectral thermal analysis; two-step kinetics; Coats–Redfern kinetics; tris(ethylenediamine)nickel(II) perchlorate

Authors

Dmitruk Kirill A. ^1,2 , Komova Oksana V. ^1,3 , Paletsky Alexander A. ^1,4 , Shmakov Andrey G. ⁴ , Mukha Svetlana A. ¹ , Butenko Vladislav R. ^1,2 , Pochtar Alena A. ^1,2 , Netskina Olga V. ^1,2

Affiliations

1	Boreskov Institute of Catalysis SB RAS, 5 Akademika Lavrentieva Ave., Novosibirsk 630090, Russia
2	Department of Natural Sciences, Novosibirsk State University, 1 Pirogova Str., Novosibirsk 630090, Russia
3	Siberian Branch of Russian Academy of Sciences, 17 Akademika Lavrentieva Ave., Novosibirsk 630090, Russia
4	Voevodsky Institute of Chemical Kinetics and Combustion SB RAS, 3 Institutskaya Str., Novosibirsk 630090, Russia

Funding (1)

Ministry of Science and Higher Education of the Russian Federation

075-15-2020-781

This work describes the mathematical modeling of the thermal decomposition of the complex compound [Ni(En)3](ClO4)2 (En = C2H8N2 = ethylenediamine) in an inert atmosphere under non-isothermal conditions. This process is characterized by several simultaneous and intense stages: elimination of ethylenediamine from the nickel coordination sphere, decomposition of perchlorate anions, and explosive-like oxidation of free or bound ethylenediamine. These stages overlap and merge into a one step on the differential thermogravimetric curve. Typically, this curve is modeled as a one-stage process during kinetic analysis. In this paper, for the first time, the data from the dynamic mass-spectral thermal analysis and thermogravimetric analysis were modeled using the hybrid genetic algorithm, and the results were compared. A two-stage scheme of [Ni(En)3](ClO4)2 thermolysis was proposed and the kinetic parameters for each stage were obtained. It was shown that the decomposition of [Ni(En)3](ClO4)2 begins with the elimination of one molecule of ethylenediamine (stage A), then the perchlorate anions quickly decompose with the evolution of oxygen (stage B). We believe that the resulting ClO−4−x (x = 1–3), as stronger oxidizing agents, instantly start an explosive-like exothermic process of ethylenediamine oxidation (stage B).

Dmitruk K.A. , Komova O.V. , Paletsky A.A. , Shmakov A.G. , Mukha S.A. , Butenko V.R. , Pochtar A.A. , Netskina O.V.
The Use of Hybrid Genetic Algorithm in the Kinetic Analysis of Thermal Decomposition of [Ni(C2H8N2)3](ClO4)2 with Overlapping Stages
Materials. 2023. V.16. N1. 90 :1-18. DOI: 10.3390/ma16010090 WOS Scopus РИНЦ AN PMID OpenAlex

Submitted:	Nov 18, 2022
Published online:	Dec 2, 2022
Accepted:	Dec 19, 2022
Published print:	Jan 1, 2023

Web of science:	WOS:000909644600001
Scopus:	2-s2.0-85145651658
Elibrary:	53957589
Chemical Abstracts:	2023:73408
PMID:	36614426
OpenAlex:	W4312100100

DB	Citing
Scopus	2
Web of science	2
Elibrary	1
OpenAlex	1