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

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...

Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability

RSC Advances ◽  
2015 ◽  
Vol 5 (74) ◽  
pp. 60005-60014 ◽  
Author(s):  
Xin Yin ◽  
Jin-Ting Wu ◽  
Xin Jin ◽  
Cai-Xia Xu ◽  
Piao He ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Energetic Materials ◽  
High Thermal Stability ◽  
Detonation Performance ◽  
Good Balance ◽  
Ionic Salts ◽  
Low Sensitivity

Energetic ionic salts based on ATO exhibit a good balance between low sensitivity and high detonation performance.

Design and synthesis of a new magnetic metal organic framework as a versatile platform for immobilization of acidic catalysts and CO2 fixation reaction

2021 ◽  
Author(s):  
Faezeh Taghavi ◽  
Amir Khojastehnezhad ◽  
Reza Khalifeh ◽  
Maryam Rajabzadeh ◽  
Fahimeh Rezaei ◽  
...  
Keyword(s):  
Co2 Fixation ◽  
Metal Organic Framework ◽  
Environmentally Friendly ◽  
Chemical Fixation ◽  
Design And Synthesis ◽  
Acidic Catalysts ◽  
Magnetic Metal ◽  
Metal Organic ◽  
Fixation Reaction ◽  
Organic Framework

The first report of the use of an acidic magnetic metal organic framework for the chemical fixation of CO2 as an environmentally friendly reaction.

scholarly journals Molecular Dynamics Simulation of the Influence of RDX Internal Defects on Sensitivity

Crystals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 329
Author(s):  
Pengmin Yan ◽  
Xue Zhao ◽  
Jiuhou Rui ◽  
Juan Zhao ◽  
Min Xu ◽  
...  
Keyword(s):  
Energetic Materials ◽  
Low Cost ◽  
Relative Sensitivity ◽  
Dynamics Simulation ◽  
Safety Properties ◽  
Internal Defects ◽  
X Ray ◽  
X Ray Computed ◽  
Low Sensitivity ◽  
Higher Sensitivity

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.

Crystal Engineering for Creating Low Sensitivity and Highly Energetic Materials

2018 ◽  
Vol 18 (10) ◽  
pp. 5713-5726 ◽  
Author(s):  
Chaoyang Zhang ◽  
Fangbao Jiao ◽  
Hongzhen Li
Keyword(s):  
Crystal Engineering ◽  
Energetic Materials ◽  
Highly Energetic Materials ◽  
Low Sensitivity

Design and Synthesis of Energetic Materials

2001 ◽  
Vol 31 (1) ◽  
pp. 291-321 ◽  
Author(s):  
Laurence E Fried ◽  
M Riad Manaa ◽  
Philip F Pagoria ◽  
Randall L. Simpson
Keyword(s):  
Energetic Materials ◽  
Design And Synthesis

scholarly journals Melting Point Prediction of Energetic Materials via Continuous Heating Simulation on Solid-to-Liquid Phase Transition

ACS Omega ◽  
2019 ◽  
Vol 4 (2) ◽  
pp. 4320-4324 ◽  
Author(s):  
Yingzhe Liu ◽  
Weipeng Lai ◽  
Tao Yu ◽  
Yiding Ma ◽  
Wangjun Guo ◽  
...  
Keyword(s):  
Phase Transition ◽  
Melting Point ◽  
Liquid Phase ◽  
Energetic Materials ◽  
Continuous Heating ◽  
Liquid Phase Transition

New concept for the design of zero-hydrogen energetic materials with high energy and low sensitivity: achieving a good balance among parent compounds, nitro groups, and N-oxides

2017 ◽  
Vol 95 (5) ◽  
pp. 505-511 ◽  
Author(s):  
Qiong Wu ◽  
Linghua Tan ◽  
Zusheng Hang ◽  
Weihua Zhu
Keyword(s):  
Energetic Materials ◽  
Density Functional ◽  
Energetic Material ◽  
Parent Compound ◽  
High Energy ◽  
Design Concept ◽  
New Novel ◽  
Energetic Compound ◽  
The Density Functional Theory ◽  
Low Sensitivity

A new powerful zero-hydrogen energetic compound DNDOBTT (2,7-dinitro-4N,9N-dioxide-bis[1,2,4]-triazolo)[1,5-b:1′,5′e][1,2,4,5] tetrazine) was produced by a new design concept of achieving a balance among the parent compound, nitro groups, and N-oxides. Its structure and properties was studied by the density functional theory. The breaking of N–N bond in the tetrazine ring is an initial decomposition step of DNDOBTT, and the energy barrier was predicted to be 175 kJ·mol−1. DNDOBTT has comparable detonation performance with some CHNO energetic compounds, including the most powerful ONC (octanitrocubane), whereas its sensitivity and thermal stability are obviously lower and better than those of ONC, respectively, indicating that DNDOBTT has both the high energy and reduced sensitivity and may be a valuable candidate for experiments. Therefore, a new novel energetic material DNDOBTT with good overall performance has been obtained successfully by the new design concept, and it may be applied to design and develop other novel improved zero-hydrogen energetic materials.

Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles

2016 ◽  
Vol 4 (15) ◽  
pp. 5495-5504 ◽  
Author(s):  
X. X. Zhao ◽  
S. H. Li ◽  
Y. Wang ◽  
Y. C. Li ◽  
F. Q. Zhao ◽  
...  
Keyword(s):  
Energetic Materials ◽  
High Density ◽  
Oxygen Balance ◽  
Design And Synthesis

The top of the pyramid of tetrazole-based CHNO energetic materials for density and OB: N-dinitromethyl functionalization is a new N-functionalized strategy for the synthesis of highly dense and oxygen-rich energetic materials.

scholarly journals Polycyclic N-oxides: high performing, low sensitivity energetic materials

2019 ◽  
Vol 55 (17) ◽  
pp. 2461-2464 ◽  
Author(s):  
Christopher J. Snyder ◽  
Lucille A. Wells ◽  
David E. Chavez ◽  
Gregory H. Imler ◽  
Damon A. Parrish
Keyword(s):  
Energetic Materials ◽  
High Performing ◽  
Low Sensitivity

Polycyclic N-oxides were developed based on the heterocycles 1,2,4,5-tetrazine and 4H,8H-difurazano[3,4-b:3′,4′-e]pyrazine.

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