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Published in 2018 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.01.016
Abstract: Abstract Based on density functional theory and volume-based thermodynamics methods, the crystal densities (ρ), heats of formation (HOFs), detonation performance, specific impulse (Isp), impact sensitivities (H50) and Gibbs free energies of formation of eight series…
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Keywords:
detonation performance;
novel energetic;
energetic salts;
composed nitro ... See more keywords
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Published in 2019 at "Fuel"
DOI: 10.1016/j.fuel.2019.115836
Abstract: Abstract Droplet combustion behaviour of an RP-1 surrogate fuel (RP-1-s), its constituents, and two novel energetic fuels – 1,3-bishomocubane dimer (BHCD) and bis(nitratomethyl)-1-3-bishomocubane (DNMBHC) was investigated. The novel energetic fuels, envisioned as potential fuels in…
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Keywords:
combustion;
droplet combustion;
surrogate fuel;
novel energetic ... See more keywords
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Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c00154
Abstract: The development of energetic materials is still facing a huge challenge because the relationship between energy and sensitivity is usually contradictory: high energy is always accompanied with low sensitivity. Here, a high-energy, low-sensitivity energetic polynitro-functionalized…
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Keywords:
sensitivity;
novel energetic;
functionalized azopyrazole;
energetic materials ... See more keywords
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Published in 2017 at "Journal of Energetic Materials"
DOI: 10.1080/07370652.2016.1269851
Abstract: ABSTRACT A novel explosive, ethylenediamine triethylenediamine tetraperchlorate (ETT), was synthesized by a rapid “ one-pot” method. The molecular and crystal structures of ETT were determined by X-ray diffraction (XRD) and Fourier transformed infrared (FTIR) spectroscopy.…
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Keywords:
salt synthesis;
perchlorate amine;
bond;
novel energetic ... See more keywords
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Published in 2018 at "Journal of Energetic Materials"
DOI: 10.1080/07370652.2017.1302519
Abstract: ABSTRACT Two derivatives of 3-methyl-1,2,5-oxadiazole 2-oxide, (E) 4-methyl-1,2,5-oxadiazole-3-carboxaldehyde 5-oxide (2,4,6-trinitrophenyl)hydrazone (1) and 2,2,2-trinitroethyl 4-methyl-1,2,5-oxadiazole-3-carboxylate 5-oxide (2), were designed, synthesized, and fully characterized. The structures of the new compounds were confirmed by single-crystal X-ray analysis. Physicochemical…
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Keywords:
energetic compounds;
novel energetic;
methyl oxadiazole;
based methyl ... See more keywords