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Journal of Molecular Liquids, volume 348, pages 118059

Two sides of thermal stability of energetic liquid: Vaporization and decomposition of 3-methylfuroxan

Publication typeJournal Article
Publication date2022-02-01
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor6
ISSN01677322, 18733166
Materials Chemistry
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
Spectroscopy
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Abstract
Analysis of thermal behavior of liquids is often accompanied by vaporization. In an extreme case, the calorimetric (DSC) experiment reveals the only endothermic evaporation instead of the more valuable thermal decomposition. 3-Methylfuroxan (MMF) is an energetic monosubstituted 1,2,5-oxadiazole N-oxide that shows the above behavior. We investigate the sample mass and confinement effects and show that the pressure DSC allows observing thermal decomposition of target compound at 2.0 MPa. Advanced model-fitting kinetic analysis reveals two global stages, the first of which is a competition between the noncatalytic reaction and autocatalytic one, whereas the second global stage is a second-order reaction. Analysis of MMF thermolysis in solution in dibutyl phthalate shows the activation energy for noncatalytic reaction to be 145.4 ± 1.7 kJ mol−1. To resolve the gas decomposition products in experiments at 0.1 MPa pressure, where the evaporation is abundant, a gas chromatography–mass spectrometry coupled with thermal analyzer was used. Among the gases that are consistent with a furoxan ring rupture by CC and NO bonds (HNCO, CH3CN), we detect CH3COCN that retains CC bond. The formation of geminal cyanonitro compound in the course of thermolysis is proposed to explain the composition of the gas reaction products. Overall, with the range of thermal analysis tools (DSC, PDSC, GC–MS/TGA, thermokinetic modeling) we performed a detailed analysis of thermal transformations of unexplored simple monosubstituted furoxan. The applied methodological approaches could be transferred to other molecular liquids.

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Muravyev N. V. et al. Two sides of thermal stability of energetic liquid: Vaporization and decomposition of 3-methylfuroxan // Journal of Molecular Liquids. 2022. Vol. 348. p. 118059.
GOST all authors (up to 50) Copy
Muravyev N. V., Melnikov I. N., Chaplygin D. A., Fershtat L. L., Monogarov K. A. Two sides of thermal stability of energetic liquid: Vaporization and decomposition of 3-methylfuroxan // Journal of Molecular Liquids. 2022. Vol. 348. p. 118059.
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TY - JOUR
DO - 10.1016/j.molliq.2021.118059
UR - https://doi.org/10.1016%2Fj.molliq.2021.118059
TI - Two sides of thermal stability of energetic liquid: Vaporization and decomposition of 3-methylfuroxan
T2 - Journal of Molecular Liquids
AU - Muravyev, Nikita V
AU - Melnikov, Igor N
AU - Chaplygin, Daniil A
AU - Fershtat, Leonid L
AU - Monogarov, Konstantin A
PY - 2022
DA - 2022/02/01 00:00:00
PB - Elsevier
SP - 118059
VL - 348
SN - 0167-7322
SN - 1873-3166
ER -
BibTex
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BibTex Copy
@article{2022_Muravyev
author = {Nikita V Muravyev and Igor N Melnikov and Daniil A Chaplygin and Leonid L Fershtat and Konstantin A Monogarov},
title = {Two sides of thermal stability of energetic liquid: Vaporization and decomposition of 3-methylfuroxan},
journal = {Journal of Molecular Liquids},
year = {2022},
volume = {348},
publisher = {Elsevier},
month = {feb},
url = {https://doi.org/10.1016%2Fj.molliq.2021.118059},
pages = {118059},
doi = {10.1016/j.molliq.2021.118059}
}
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