Some New High Energy Materials and their Formulations for Specialized Applications

Agrawal, J. P.

doi:10.1002/prep.200500021

Cited by 173 publications

(87 citation statements)

References 30 publications

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“…Thermally stable secondary explosives are widely needed for special applications such as drilling deep oil-wells and space exploration. The research on heat-resistant explosives was reviewed e. g. by Urbanski and Vasudeva [17], Agrawal [18] and Sikder [19]. The state of the art reference in these applications is hexanitrostilbene (HNS), which is easily synthesized by oxidation of 2,4,6-trinitro-toluene (TNT) and is stable up to 318 • C.…”

Section: Introductionmentioning

confidence: 99%

Thermally Stable 3,6-Disubstituted 1,2,4,5-Tetrazines

Klapötke

Preimesser

Stierstorfer

2013

Zeitschrift Für Naturforschung B

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Several 3,6-disubstituted 1,2,4,5-tetrazines were synthesized by nucleophilic substitution using 3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine and 3,6-dichloro-1,2,4,5-tetrazine as electrophiles. All new compounds were characterized by 1 H NMR, 13 C NMR and vibrational spectroscopy, mass spectrometry and elemental analysis (C,H,N). For analysis of the thermostability, differential scanning calorimetry (DSC) was used. Especially, the symmetrically bis-3,5-diamino-1,2,4-triazolyl-substituted derivative shows a very high thermal stability up to 370 • C. Therefore its energetic properties were determined and compared with thoses of hexanitrostilbene (HNS). The crystal structures of 3,6-bishydrazino-1,2,4,5-tetrazine, 3,6-dichloro-1,2,4,5-tetrazine and 3-amino-6-(3,5-diamino-1,2,4-triazol-1-yl)-1,2,4,5-tetrazine dihydrate have been determined by low-temperature X-ray diffraction.

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Section: Introductionmentioning

confidence: 99%

Thermally Stable 3,6-Disubstituted 1,2,4,5-Tetrazines

Klapötke

Preimesser

Stierstorfer

2013

Zeitschrift Für Naturforschung B

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“…The thermal stability and performance of PL-1 is slightly inferior to TATB, but its density is better than TATB. In addition to impact and friction is comparable with TATB [10,11]. The attention this molecule has received has to do not only with its applications but also with its intriguing symmetry and electronic withdraw-donate groups.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Study of 2,4,6-Tris(3′,5′-Diamino-2′,4′,6′-Trinitrophenylamino)-1,3,5-Triazine

Ju¹,

Wang²

2008

Journal of Energetic Materials

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Theoretical Study of 2,4,6-Tris(3 0 ,5 0 -Diamino-2 0 ,4 0 ,6 0 -Trinitrophenylamino)-1,3,5-TriazineThe density functional theory (DFT) BLYP and B3LYP method with 3-21G Ã and 6-31G ÃÃ basis sets were used to predict the structures, natural bond orbital (NBO) atomic charges, and ring interactions of 2,4,6-tris(3 0 ,5 0 -diamino-2 0 ,4 0 ,6 0 -trinitrophenylamino)-1,3,5-triazine (PL-1). Approximately, the molecule possesses C 3 symmetry with three benzene rings tilted to the triazine plane. The interactions among three 3 0 ,5 0 -diamino-2 0 ,4 0 ,6 0 -trinitrophenylamino groups are of additivity. The heat of formation of PL-1 was estimated to be 427.6 J=mol via isodesmic reaction. Detonation velocity and pressure are 8.5 km=s and 35.5 GPa, respectively.

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“…The ε polymorph [18][19][20] of CL-20 crystals is the densest and most thermodynamically stable form of the reported crystalline forms (α, β, γ and ε). However, the ε-CL-20 crystal has also failed to meet the high demands of safety for modern ordnance due to its high sensitivity.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation Studies of the CL-20/DNB Co-crystal

Sun¹,

Xiao²,

Ji³

et al. 2016

Cent. Eur. J. Energ. Mater.

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Molecular dynamics (MD) simulation was conducted for a DNB (1,3-dinitrobenzene) crystal, a ε- 4,6,8,10,4,6,8,10, crystal, a CL-20/DNB co-crystal and a CL-20/DNB composite. From the calculated maximum bond length (Lmax) of the N−NO2 trigger bond, the cohesive energy density (CED) and the binding energy (Ebind), it was found that the CL-20/DNB co-crystal is more insensitive than its composite. Its thermal stability is also better than that of its composite. The pair correlation function (PCF) analysis method was applied to investigate the interfaces between different molecular layers in the CL-20/DNB co-crystal, and in the composite. Additionally, the calculated mechanical data showed that the moduli of the CL-20/DNB co-crystal and its composite are smaller and their elastic elongation and ductility are better than those of the ε-CL-20 and DNB crystals.

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Some New High Energy Materials and their Formulations for Specialized Applications

Cited by 173 publications

References 30 publications

Thermally Stable 3,6-Disubstituted 1,2,4,5-Tetrazines

Thermally Stable 3,6-Disubstituted 1,2,4,5-Tetrazines

Theoretical Study of 2,4,6-Tris(3′,5′-Diamino-2′,4′,6′-Trinitrophenylamino)-1,3,5-Triazine

Molecular Dynamics Simulation Studies of the CL-20/DNB Co-crystal

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