Dataset Information

Fabrication and Characterization of Viton@FOX-7@Al Spherical Composite with Improved Thermal Decomposition Property and Safety Performance.

ABSTRACT: To achieve a uniform distribution of the components and a better performance of aluminized composite explosives, Viton (dipolymers of hexafluoropropylene and vinylidene fluoride) @ FOX-7 (1,1-diamino-2,2-dinitroethylene) @Al microspheres and FOX-7/Viton@Al were synthesized by spray-drying strategy contrastively. Viton@FOX-7@Al owned porous and loose morphology and good sphericity with a retained crystal phase of FOX-7 and aluminum. The 23.56% fluorine content on Viton@FOX-7@Al surface indicated that Viton was completely coated on the surface of the particles. Nanosized aluminum (nAl) in Viton@FOX-7@Al had a certain catalytic activity on the thermal decomposition process of FOX-7 resulting in a depressed exothermic peak temperature and reduced apparent activation energy relative to nAl in FOX-7/Viton@Al. Because of the specific structure and the synergies between each individual component, Viton@FOX-7@Al showed reduced impact sensitivity and friction sensitivity than those of FOX-7/Viton@Al. In brief, Viton@FOX-7@Al with multilevel coating structure possessed comparatively low thermal decomposition energy requirement and improved safety performance.

SUBMITTER: Li X

PROVIDER: S-EPMC7956709 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature

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Fabrication and Characterization of Viton@FOX-7@Al Spherical Composite with Improved Thermal Decomposition Property and Safety Performance.

Li Xiaodong X Yang Yue Y Song Changgui C Sun Yantao Y Han Yuanqi Y Zhao Yue Y Wang Jingyu J

Materials (Basel, Switzerland) 20210226 5

To achieve a uniform distribution of the components and a better performance of aluminized composite explosives, Viton (dipolymers of hexafluoropropylene and vinylidene fluoride) @ FOX-7 (1,1-diamino-2,2-dinitroethylene) @Al microspheres and FOX-7/Viton@Al were synthesized by spray-drying strategy contrastively. Viton@FOX-7@Al owned porous and loose morphology and good sphericity with a retained crystal phase of FOX-7 and aluminum. The 23.56% fluorine content on Viton@FOX-7@Al surface indicated ...[more]

PMID: 33652811

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Project description:The thermal decomposition mechanism of energetic materials is important for analyzing the combustion mechanisms of propellants and evaluating the safety of propellants during transport and storage. 1,1-Diamino-2,2-dinitroethylene (FOX-7) is an important insensitive energetic material that can be used as an oxidizer in propellants. However, the initial decomposition mechanism of FOX-7 is not clear to date. The ReaxFF molecular dynamics method is widely used in the investigation of the thermal decomposition mechanisms of energetic materials. Meanwhile, the combination of thermogravimetry with online photoionization time-of-flight mass spectrometry (TG-PI-TOF-MS) and online single-photon ionization time-of-flight mass spectrometry (SPI-TOF-MS) can reveal the decomposition products, which may be integrated with the results of the simulation. In this study, the primary thermal decomposition mechanism of 1,1-diamino-2,2-dinitroethylene (FOX-7) was studied by the ReaxFF molecular dynamics simulations and online photoionization mass spectrometry. The results of the molecular dynamics simulations showed that the primary decomposition step of FOX-7 is C-NO2 cleavage; after this, C[double bond, length as m-dash]O formation occurs via a three-membered ring transition state, followed by NO elimination. The remaining structure loses NH2 and H, resulting in the formation of the NHC[double bond, length as m-dash]C[double bond, length as m-dash]O structure, which finally breaks down into HNC and CO. NH2 reacts with an H atom to produce NH3. A reversible intramolecular hydrogen transfer was also observed at 2500 K; however, it failed to dominate the decomposition reaction. During the decomposition of FOX-7, the major products are N2, NH3, CO2, and H2N2 and the minor products are H2O, HN2, and H2. The TG-PI-TOF-MS spectrum shows three signals, i.e., m/z = 18, 28, and 30, which can be assigned to H2O, CO, and NO, respectively. Moreover, four signals at m/z = 72.72, 55.81, 45.79, and 29.88 corresponding to the products (NH2)2C[double bond, length as m-dash]C[double bond, length as m-dash]O, (NH2)C[double bond, length as m-dash]C[double bond, length as m-dash]O, NO2, and NO have been obtained in the SPI-TOF-MS spectrum. The experimental data obtained via online photoionization mass spectrometry further validated the results of the molecular dynamics simulations.

Dataset Information

Fabrication and Characterization of Viton@FOX-7@Al Spherical Composite with Improved Thermal Decomposition Property and Safety Performance.

Publications

Fabrication and Characterization of Viton@FOX-7@Al Spherical Composite with Improved Thermal Decomposition Property and Safety Performance.

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