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

Kirill A Dmitruk, Oksana V Komova, Alexander A Paletsky, Andrey G Shmakov, Svetlana A Mukha, Vladislav R Butenko, Alena A Pochtar, Olga V Netskina

Результат исследования: Научные публикации в периодических изданияхстатьярецензирование

Аннотация

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 ClO4-x- (x = 1-3), as stronger oxidizing agents, instantly start an explosive-like exothermic process of ethylenediamine oxidation (stage B).

Язык оригиналаанглийский
Номер статьи30
ЖурналMaterials
Том16
Номер выпуска1
Ранняя дата в режиме онлайн22 дек. 2022
DOI
СостояниеОпубликовано - янв. 2023

Предметные области OECD FOS+WOS

  • 1.03 ФИЗИЧЕСКИЕ НАУКИ И АСТРОНОМИЯ
  • 2.05 ТЕХНОЛОГИЯ МАТЕРИАЛОВ

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