Alleviating the energy & safety contradiction to construct new low sensitivity and highly energetic materials through crystal engineering

The internal defect is an important factor that could influence the energy and safety properties of energetic materials. RDX samples of two qualities were characterized and simulated to reveal the influence of different defects on sensitivity. The internal defects were characterized with optical microscopy, Raman spectroscopy and microfocus X-ray computed tomography technology. The results show that high-density RDX has fewer defects and a more uniform distribution. Based on the characterization results, defect models with different defect rates and distribution were established. The simulation results show that the models with fewer internal defects lead to shorter N-NO2 maximum bond lengths and greater cohesive energy density (CED). The maximum bond length and CED can be used as the criterion for the relative sensitivity of RDX, and therefore defect models doped with different solvents are established. The results show that the models doped with propylene carbonate and acetone lead to higher sensitivity. This may help to select the solvent to prepare low-sensitivity RDX. The results reported in this paper are aiming at the development of a more convenient and low-cost method for studying the influence of internal defects on the sensitivity of energetic materials.

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Crystal Engineering of Energetic Materials: Co-crystals of Ethylenedinitramine (EDNA) with Modified Performance and Improved Chemical Stability

Chemistry - A European Journal ◽

10.1002/chem.201502292 ◽

2015 ◽

Vol 21 (31) ◽

pp. 10921-10921 ◽

Cited By ~ 1

Author(s):

Christer B. Aakeröy ◽

Tharanga K. Wijethunga ◽

John Desper

Keyword(s):

Chemical Stability ◽

Crystal Engineering ◽

Energetic Materials

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Active Mode Remote Infrared Spectroscopy Detection of TNT and PETN on Aluminum Substrates

Journal of Spectroscopy ◽

10.1155/2017/2730371 ◽

2017 ◽

Vol 2017 ◽

pp. 1-11 ◽

Cited By ~ 6

Author(s):

John R. Castro-Suarez ◽

Leonardo C. Pacheco-Londoño ◽

Joaquín Aparicio-Bolaño ◽

Samuel P. Hernández-Rivera

Keyword(s):

Infrared Spectroscopy ◽

Energetic Materials ◽

Angle Of Incidence ◽

Least Squares Regression ◽

Active Mode ◽

Infrared Telescope ◽

Infrared Spectrometer ◽

Highly Energetic Materials ◽

Aluminum Plates ◽

Aluminum Substrates

Two standoff detection systems were assembled using an infrared telescope coupled to a Fourier transform infrared spectrometer, a cryocooled mercury-cadmium telluride detector, and a telescope-coupled midinfrared excitation source. Samples of the highly energetic materials (HEMs) 2,4,6-trinitrotoluene (TNT) and pentaerythritol tetranitrate (PETN) were deposited on aluminum plates and detected at several source-target distances by carrying out remote infrared spectroscopy (RIRS) measurements on the aluminum substrates in active mode. The samples tested were placed at 1–30 m for the RIRS detection experiments. The effect of the angle of incidence/collection of the IR beams on the vibrational band intensities and the signal-to-noise ratios (S/N) were investigated. Experiments were performed at ambient temperature. Surface concentrations from 50 to 400 μg/cm2 were studied. Partial least squares regression analysis was applied to the spectra obtained. Overall, RIRS detection in active mode was useful for quantifying the HEMs deposited on the aluminum plates with a high confidence level up to the target-collector distances of 1–25 m.

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3-R-4-(5-methyleneazide-1,2,4-oxadiazol-3-yl)furazan and its ionic salts as low-sensitivity and high-detonation energetic materials

New Journal of Chemistry ◽

10.1039/d1nj01099a ◽

2021 ◽

Author(s):

Rui Yang ◽

Yifei Liu ◽

Zhen Dong ◽

Haiyan Li ◽

Zhiwen Ye

Keyword(s):

Melting Point ◽

Energetic Materials ◽

Environmentally Friendly ◽

Azide Group ◽

Design And Synthesis ◽

Ionic Salts ◽

Low Sensitivity

As an environmentally friendly energetic group, the azide group can not only control the melting point but also increase the energy of the compound. Therefore, the design and synthesis of...

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Abstract 676: Dinitroazetidines are a novel class of anticancer agents and hypoxia-activated radiation sensitizers developed from highly energetic materials

10.1158/1538-7445.am2011-676 ◽

2011 ◽

Cited By ~ 1

Author(s):

Shoucheng Ning ◽

Mark Bednarski ◽

Bryan Oronsky ◽

Jan Scicinski ◽

Gordon Saul ◽

...

Keyword(s):

Anticancer Agents ◽

Energetic Materials ◽

Highly Energetic Materials ◽

Radiation Sensitizers

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Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole

CrystEngComm ◽

10.1039/c9ce00782b ◽

2019 ◽

Vol 21 (32) ◽

pp. 4701-4706 ◽

Cited By ~ 6

Author(s):

Jie Tang ◽

Guangbin Cheng ◽

Ying Zhao ◽

Pengju Yang ◽

Xuehai Ju ◽

...

Keyword(s):

Molecular Structure ◽

Intramolecular Cyclization ◽

Crystal Engineering ◽

Energetic Materials

Crystal engineering has prompted the development of energetic materials in recent years.

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Surface Persistence of Trace Level Deposits of Highly Energetic Materials

Molecules ◽

10.3390/molecules24193494 ◽

2019 ◽

Vol 24 (19) ◽

pp. 3494 ◽

Cited By ~ 1

Author(s):

Leonardo C. Pacheco-Londoño ◽

José L. Ruiz-Caballero ◽

Michael L. Ramírez-Cedeño ◽

Ricardo Infante-Castillo ◽

Nataly J. Gálan-Freyle ◽

...

Keyword(s):

Energetic Materials ◽

Metastable Phase ◽

Grazing Angle ◽

Sublimation Enthalpy ◽

Gravimetric Analysis ◽

Ftir Microscopy ◽

Linear Behavior ◽

Highly Energetic Materials ◽

Ss Substrates ◽

Enthalpies Of Sublimation

In the fields of Security and Defense, explosive traces must be analyzed at the sites of the terrorist events. The persistence on surfaces of these traces depends on the sublimation processes and the interactions with the surfaces. This study presents evidence that the sublimation process of these traces on stainless steel (SS) surfaces is very different than in bulk quantities. The enthalpies of sublimation of traces of four highly energetic materials: triacetone triperoxide (TATP), 2,4-dinitrotoluene (DNT), 2,4,6-trinitrotoluene (TNT), and 1,3,5- trinitrohexahydro-s-triazine (RDX) deposited on SS substrates were determined by optical fiber coupled-grazing angle probe Fourier Transform Infrared (FTIR) Spectroscopy. These were compared with enthalpies of sublimation determined by thermal gravimetric analysis for bulk amounts and differences between them were found. The sublimation enthalpy of RDX was very different for traces than for bulk quantities, attributed to two main factors. First, the beta-RDX phase was present at trace levels, unlike the case of bulk amounts which consisted only of the alpha-RDX phase. Second, an interaction between the RDX and SS was found. This interaction energy was determined using grazing angle FTIR microscopy. In the case of DNT and TNT, bulk and traces enthalpies were statistically similar, but it is evidenced that at the level of traces a metastable phase was observed. Finally, for TATP the enthalpies were statistically identical, but a non-linear behavior and a change of heat capacity values different from zero was found for both trace and bulk phases.

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