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Furazanyl ether has great potential to be an important candidate as a casting explosive and energetic plasticizer. The density functional theory (DFT) method was used to investigate the heats of formation (HOFs), molecular stability, detonation performance and melting point of a series of substituted furazanyl ethers at B3LYP/6-311G(d,p) level. The results show that the introduction of –N3 or –N(O)=N–...
The novel fuel additive LiBH4 was introduced as an energetic component for its outstanding hydrogen content, perfect burning performance and high reactivity. In order to limit the hygroscopicity and to improve the stability in the air, LiBH4 was coated on the surface with wax and polyester carbonate. The final product was characterized by scanning electron microscopy (SEM), X-ray photoelectron energy...
Seven novel energetic 4,7-dinitro-furazano-[3,4-d]-pyridazine derivatives were designed, and their optimized structures and performances were studied by density functional theory (DFT) at B3LYP/6-311g(d,p) level. The detonation performances were estimated by the Kamlet-Jacobs equations. The results show that these compounds have high crystal densities (1.818-1.925 g·cm−3), detonation velocities (8...
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