A CL-20/DNDAP cocrystal explosive prepared by a spray drying method exhibited a small particle size with a narrow size distribution and good comprehensive performance.
The insensitive compound bis(nitrofurazano)furazan (BNFF) with high energy‐density was synthesized by three‐step reactions and fully characterized. The key reduction reaction was discussed. BNFF has a high crystal density (1.839 g cm−3) and a low melting point (82.6 °C). BNFF is insensitive to impact and friction and has similar detonation velocity (8680 m s−1) and detonation pressure (36.1 GPa) compared to RDX.
Molecular
shape is observed to greatly determine the properties
of energetic materials (EMs); that is, the spherical molecules generally
have high energy while the planar molecules have low sensitivity in
common. Nevertheless, how the molecular shapes along with their packing
modes affect the crystal packing features, such as crystal density
and packing coefficient (PC), that are crucial factors describing
the energy and sensitivity properties of EMs, is still unclear. Herein,
this issue was addressed via a statistical analysis of more than 103 available energetic crystals. Despite crystal density having
an overall increasing trend with PC, high crystal density and high
PC are dominated by spherical and planar molecules, respectively.
Intra- and intermolecular hydrogen bonds are important factors that
affect molecular shapes and packing features of EMs, respectively.
Hopefully, the results reported here can deepen the understanding
of the structure–property relationship to rationally design
novel EMs with outstanding properties. Moreover, the present study
provides a route to quantitatively identify the molecular shapes and
packing modes based on simple structural parameters, which can be
further applied to the detailed identification and analysis of energetic
crystals with specific packing modes.
Herein, the attachment energy (AE) model was employed to study the growth morphology of 3,4-bisIJ3nitrofurazan-4-yl)furoxan (DNTF) under vacuum and solvent conditions by molecular dynamics simulation.The DNTF crystals were cultivated in H 2 O/acetic acid (AcOH) and H 2 O/EtOH solvents by natural cooling.The calculated results show that the (0 1 1) and (0 0 1) faces have large morphological importance in these two solvent systems, and the predicted DNTF morphologies agree qualitatively with those of the observed experimental results. Radial distribution function (RDF) and diffusion coefficient analyses were performed to explore the adsorption and diffusion behaviors of solvent molecules on DNTF surfaces. Furthermore, the impact and friction sensitivities of different crystal morphologies of DNTF were also tested and discussed.Results suggest that crystal morphology is an important impact factor for controlling the sensitivity of explosives.
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