Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials

2018 ◽  
Vol 6 (45) ◽  
pp. 22705-22712 ◽  
Author(s):  
Jichuan Zhang ◽  
Jiaheng Zhang ◽  
Damon A. Parrish ◽  
Jean'ne M. Shreeve
Keyword(s):  
Oxygen Content ◽  
Energetic Materials ◽  
High Energy ◽  
Oxygen Balance ◽  
High Nitrogen

The dinitromethyl group has attracted considerable attention because of its high nitrogen and oxygen content, positive oxygen balance and high energy.

scholarly journals Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles

2015 ◽  
Vol 39 (3) ◽  
pp. 1619-1627 ◽  
Author(s):  
Dennis Fischer ◽  
Thomas M. Klapötke ◽  
Marius Reymann ◽  
Jörg Stierstorfer ◽  
Maurus B. R. Völkl
Keyword(s):  
Oxygen Content ◽  
Energetic Materials ◽  
Recent Trend ◽  
High Nitrogen

The connection of highly endothermic heterocycles with high nitrogen as well as oxygen content is a recent trend in the development of new energetic materials in order to increase densities and stabilities.

scholarly journals Theoretical design of high-nitrogen energetic molecules: Performance prediction of pentazole-based derivatives

2021 ◽  
Author(s):  
Hao-Ran Wang ◽  
Chong Zhang ◽  
Cheng-Guo Sun ◽  
Bing-Cheng Hu ◽  
Xue-Hai Ju
Keyword(s):  
Energetic Materials ◽  
Density Functional ◽  
Hot Spot ◽  
High Energy ◽  
High Energy Density ◽  
Heats Of Formation ◽  
Detonation Properties ◽  
Energetic Compounds ◽  
High Nitrogen ◽  
Functional Theory

Abstract High nitrogen energetic compounds have always been a hot spot in energetic materials. In this work, we provide a new approach for the design of promising energetic molecules containing pentazole. Attractive energetic compounds include 5-amino-3-nitro-1H-1,2,4-triazole (ANTA) and 5-nitro-1,2,4-triazol-3-one(NTO) are used to effectively combine with pentazole to form a series of pentazole derivatives. Then, the NH2, NO2 or NF2 groups were introduced into the system to further adjust the property. Herein, the structures and densities of designed compounds as well as the heats of formation, detonation properties and impact sensitivities were predicted based on density functional theory (DFT). The results show that all ten designed molecules have excellent densities (1.81 g/cm3 to 1.97 g/cm3) and high heats of formation (621.66 kJ/mol to 1374.63 kJ/mol). Furthermore, detonation performances of compounds A3 (P = 41.16 GPa and D = 9.45 km/s) and A4 (P = 43.90 GPa and D = 9.69 km/s) are superior to 1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), and lower impact sensitivity than HMX. It exhibited that they could be taken as promising candidates of high-energy density materials. This work provides a worthy way to explore the energetic compounds with excellent performance based on pentazole.

High-nitrogen nitrotetrazole substituted tetrazole 3-N-oxides as potential high energy density compounds

2018 ◽  
Vol 96 (5) ◽  
pp. 459-465
Author(s):  
Qiong Wu ◽  
Qidi Li ◽  
Kai Li ◽  
Hang Li ◽  
Bo Kou ◽  
...  
Keyword(s):  
Energy Density ◽  
Density Functional ◽  
High Energy ◽  
Heat Of Formation ◽  
High Energy Density ◽  
Lower Sensitivity ◽  
Detonation Pressure ◽  
Oxygen Balance ◽  
High Nitrogen ◽  
High Energy Density Compounds

In this work, two series of novel high-nitrogen tetrazole 3-N-oxides substituted by different nitrotetrazoles were designed, and their structure and properties were investigated by using the density functional theory (DFT) method. The results shown that though there are only one to two energetic substituents in the structure, because of the high nitrogen content, ideal oxygen balance, and the big conjugated structure, all eight designed compounds not only have high heat of formation (655.4–845.6 kJ/mol), high density (1.83–1.93 g/cm3), and high detonation performance (detonation velocity: 9.06–9.50 km/s; detonation pressure: 36.7–41.8 GPa), but also possess reduced impact sensitivity (23–98 cm). Fully analyzing the energy and sensitivity, A1 and A4 have higher energy and lower sensitivity than one famous high energy compound 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX), and A3, B1, and B4 have comparable overall performance with HMX, showing that these five designed compounds may be considered as the potential high energy density compounds. In addition, the introduction of one extra nitro group into the tetrazole 3-N-oxide could not improve the combination property generally.

NO x and N2O Emissions During Fluidized Bed Combustion of Leather Wastes

2005 ◽  
Vol 128 (2) ◽  
pp. 99-103 ◽  
Author(s):  
Alberto Bahillo ◽  
Lourdes Armesto ◽  
Andrés Cabanillas ◽  
Juan Otero
Keyword(s):  
Nitrogen Content ◽  
Fluidized Bed ◽  
Oxygen Content ◽  
N2o Emission ◽  
N2o Emissions ◽  
Fluidized Bed Combustion ◽  
High Nitrogen Content ◽  
High Nitrogen ◽  
Leather Wastes ◽  
Leather Waste

Transformation of hide (animal skins) into leather is a complicated process during which significant amounts of wastes are generated. Fluidized bed combustion has been extended to burn different wastes that have problems with their disposal showing its technical feasibility. Considering the characteristics of the leather waste, especially the heating value (12.5-21MJ∕kg), it is a fairly good fuel. Moreover, leather waste has a high volatile matter, 65%, similar to other biomasses and unusual high nitrogen content, 14%. The aim of this work was to study leather wastes combustion in fluidized bed presenting experimental results regarding NOx and N2O emissions. A series of experiments were carried out in a fluidized bed pilot plant to understand the importance of operating parameters such as furnace temperature, oxygen content in gases, staged combustion and residence time on the NOx and N2O emission level. Despite having high nitrogen content, low conversion of N-fuel to NOx and N2O was measured during the combustion of leather waste in BFB. Bed temperature and oxygen content were found as the most important single parameters on N2O emission and only oxygen content has a significant influence on NOx emission. Leather waste exhibits a great NOx∕O2 trend; NOx emission decreases as the oxygen concentration decreases while the effect of combustion temperature on NOx is insignificant. Staged combustion does not give a reduction in NOx.

Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole

RSC Advances ◽  
2016 ◽  
Vol 6 (88) ◽  
pp. 84760-84768 ◽  
Author(s):  
Yanan Li ◽  
Yuanjie Shu ◽  
Bozhou Wang ◽  
Shengyong Zhang ◽  
Lianjie Zhai
Keyword(s):  
Energy Density ◽  
Energetic Materials ◽  
High Energy ◽  
High Energy Density ◽  
Structure And Properties ◽  
High Energy Density Materials

Various neutral energetic derivatives based onN-functionalization of DNPP were synthesized, which can be used as new high energy-density materials.

Studies on azotetrazolate based high nitrogen content high energy material spotential additives for rocket propellants

2004 ◽  
Vol 78 (3) ◽  
pp. 781-792
Author(s):  
R. Sivabalan ◽  
M. B. Talawar ◽  
N. Senthilkumar ◽  
B. Kavitha ◽  
S. N. Asthana
Keyword(s):  
Nitrogen Content ◽  
High Energy ◽  
High Nitrogen Content ◽  
High Nitrogen ◽  
Rocket Propellants ◽  
Energy Material ◽  
High Energy Material

High-Nitrogen Energetic Materials of 1,2,4,5-Tetrazine Family: Thermal and Combustion Behaviors

2016 ◽  
pp. 89-125 ◽  
Author(s):  
Valery P. Sinditskii ◽  
Viacheslav Yu. Egorshev ◽  
Gennady F. Rudakov ◽  
Sergey A. Filatov ◽  
Anna V. Burzhava
Keyword(s):  
Energetic Materials ◽  
High Nitrogen ◽  
Combustion Behaviors

scholarly journals Preparation and Characterization of Al/HTPB Composite for High Energetic Materials

Nanomaterials ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 2222
Author(s):  
Alexander Vorozhtsov ◽  
Marat Lerner ◽  
Nikolay Rodkevich ◽  
Sergei Sokolov ◽  
Elizaveta Perchatkina ◽  
...  
Keyword(s):  
Energetic Materials ◽  
Experimental Studies ◽  
High Energy ◽  
High Reactivity ◽  
Ease Of Use ◽  
Slow Heating ◽  
Energy Materials ◽  
Nanosized Powders ◽  
The Cost

Nanosized Al (nAl) powders offer increased reactivity than the conventional micron-sized counterpart, thanks to their reduced size and increased specific surface area. While desirable from the combustion viewpoint, this high reactivity comes at the cost of difficult handling and implementation of the nanosized powders in preparations. The coating with hydroxyl-terminated polybutadiene (HTPB) is proposed to improve powder handling and ease of use of nAl and to limit its sensitivity to aging. The nAl/HTPB composite can be an intermediate product for the subsequent manufacturing of mixed high-energy materials while maintaining the qualities and advantages of nAl. In this work, experimental studies of the high-energy mixture nAl/HTPB are carried out. The investigated materials include two composites: nAl (90 wt.%) + HTPB (10 wt.%) and nAl (80 wt.%) + HTPB (20 wt.%). Thermogravimetric analysis (TGA) is performed from 30 to 1000 °C at slow heating rate (10 °C/min) in inert (Ar) and oxidizing (air) environment. The combustion characteristics of propellant formulations loaded with conventional and HTPB-coated nAl are analyzed and discussed. Results show the increased burning rate performance of nAl/HTPB-loaded propellants over the counterpart loaded with micron-sized Al.

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