A comparative study of the structure, energetic performance and stability of nitro-NNO-azoxy substituted explosives

2014 ◽  
Vol 2 (48) ◽  
pp. 20806-20813 ◽  
Author(s):  
Yuan Wang ◽  
Shenghua Li ◽  
Yuchuan Li ◽  
Rubo Zhang ◽  
Dong Wang ◽  
...  
Keyword(s):  
Comparative Study ◽  
Nitro Group ◽  
Detonation Velocity ◽  
Heat Of Formation ◽  
Detonation Pressure ◽  
Unique Structure ◽  
Energetic Performance

Nitro-NNO-azoxy group: the unique structure could improve the density, heat of formation, detonation velocity and detonation pressure of an explosive. Compared with the nitro group, the nitro-NNO-azoxy group has a stronger energetic and electron-attracting property.

An Ag(i) energetic metal–organic framework assembled with the energetic combination of furazan and tetrazole: synthesis, structure and energetic performance

2016 ◽  
Vol 45 (16) ◽  
pp. 6968-6973 ◽  
Author(s):  
Xiao-Ni Qu ◽  
Sheng Zhang ◽  
Bo-Zhou Wang ◽  
Qi Yang ◽  
Jing Han ◽  
...  
Keyword(s):  
Detonation Velocity ◽  
Metal Organic Framework ◽  
Detonation Pressure ◽  
Metal Organic ◽  
Low Sensitivity ◽  
Energetic Performance ◽  
Organic Framework

A novel 3D Ag(i) energetic MOF assembled with a furazan derivative (4,4′-oxybis[3,3′-(1H-5-tetrazol)]furazan) shows low sensitivity, good thermostability and ultrahigh detonation pressure and detonation velocity.

scholarly journals Estimation of Influence of Explosive Characteristics of Emulsion Explosives on Shotpile Width

2018 ◽  
Vol 56 ◽  
pp. 01003
Author(s):  
Victor Sinitsyn ◽  
Pavel Menshikov ◽  
Vyacheslav Kutuev
Keyword(s):  
Detonation Velocity ◽  
Dynamic Compression ◽  
Point Of View ◽  
Head Part ◽  
Detonation Pressure ◽  
Emulsion Explosives ◽  
Clastic Rocks ◽  
Total Magnitude ◽  
Efficient Type ◽  
Points Of View

The article deals with the question of the effect of explosive characteristics of emulsion explosives on the shotpile width. Currently, there are two main points of view to select an efficient type of explosive, which contributes to the qualitative destruction (fragmentation) of coarse clastic rocks. The first is based on the assumption that the detonation velocity of explosives must correspond to the break-down point of the rock (dynamic compression). Another point of view is that the detonation pressure of explosives determines only the head part of the pulse, on which the rock fragmentation is dependent only near the charge, in the contact zone around the borehole. The fragmentation of the entire rock volume within a given borehole array depends on the total magnitude of the explosion pulse, determined not by the detonation velocity, but by the total energy reserve of the explosive charge. Experimental explosions with some of the most common industrial explosives have been carried out in the current conditions of blasting of borehole charges by various types of industrial explosives from the point of view to select the most important parameter, which determines its influence on the shotpile width The investigations have been carried out according to the data obtained to establish that the energy properties of explosives (heat of explosive transformation and density of explosives) determine the decisive influence on the shotpile width, and the operability, the volume of the released gases, the detonation velocity for the change in the shotpile width have very little effect and may not be taken into account in calculations for the prediction of the shotpile.

Crystal structure, thermodynamic properties and detonation characterization of bis(5-amino-1,2,4-triazol-3-yl)methane

2020 ◽  
Vol 76 (1) ◽  
pp. 64-68 ◽  
Author(s):  
Hongya Li ◽  
Biao Yan ◽  
Haixia Ma ◽  
Zhiyong Sun ◽  
Yajun Ma ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Detonation Velocity ◽  
Theoretical Calculations ◽  
Detonation Pressure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Equivalent Equation ◽  
Experimental Values ◽  
Experimental Density

Bis(5-amino-1,2,4-triazol-3-yl)methane (BATZM, C5H8N8) was synthesized and its crystal structure characterized by single-crystal X-ray diffraction; it belongs to the space group Fdd2 (orthorhombic) with Z = 8. The structure of BATZM can be described as a V-shaped molecule with reasonable chemical geometry and no disorder. The specific molar heat capacity (Cp,m ) of BATZM was determined using the continuous Cp mode of a microcalorimeter and theoretical calculations, and the Cp,m value is 211.19 J K−1 mol−1 at 298.15 K. The relative deviations between the theoretical and experimental values of Cp,m , HT – H 298.15K and ST – S 298.15K of BATZM are almost equivalent at each temperature. The detonation velocity (D) and detonation pressure (P) of BATZM were estimated using the nitrogen equivalent equation according to the experimental density; BATZM has a higher detonation velocity (7954.87 ± 3.29 m s−1) and detonation pressure (25.72 ± 0.03 GPa) than TNT.

Synthesis, characterization and properties of a novel energetic ionic salt: dicarbohydrazide bis[3-(5-nitroimino-1,2,4-triazole)]

2019 ◽  
Vol 43 (16) ◽  
pp. 6422-6428 ◽  
Author(s):  
Jianrong Ren ◽  
Dong Chen ◽  
Guijuan Fan ◽  
Ying Xiong ◽  
Zhenqi Zhang ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Detonation Velocity ◽  
Detonation Pressure ◽  
Low Friction ◽  
Good Thermal Stability ◽  
Ionic Salt ◽  
Impact Sensitivities

DCBNT, a new compound, exhibits low friction and impact sensitivities, good thermal stability, and promising detonation pressure and detonation velocity.

scholarly journals An electrical method of determining the velocity of detonation of explosives

1924 ◽  
Vol 105 (731) ◽  
pp. 282-298 ◽  
Keyword(s):  
Detonation Wave ◽  
Detonation Velocity ◽  
Detonation Pressure ◽  
Electrical Method ◽  
Vapour Density ◽  
Velocity Of Detonation ◽  
Set Up

When a layer of molecules in a mass of explosive detonates, the change is transmitted throughout the mass, and the velocity with which the transmission takes place is called the rate of detonation. It has been shown that the pressure p set up in the front of a detonation wave can be written p = velocity of detonation × velocity of vapour × density, so that explosives with high rates of detonation will have correspondingly high detonation pressures and consequently high destructive properties. A glance at the accompanying table [ see Robertson: 'J. C. S.,' vol. 119, p. 1 (1923)], which includes also values for the heat produced during detonation, will show that this is the case:- The pressure developed by tetryl is more than six times that developed by gunpowder, but the number of calories liberated at detonation by 1 gm. is only 1·8 times as great. The detonation pressure therefore depends not only on the amount of energy liberated, but also on the rate at which it is liberated. Rate of detonation becomes therefore at once one of the most important constants in explosive technology.

Calculation of heat of formation :- Molecular connectivity and IOC-ω technique, a comparative study

Tetrahedron ◽  
1984 ◽  
Vol 40 (15) ◽  
pp. 2859-2863 ◽  
Author(s):  
V.K. Singh ◽  
V.P. Tewari ◽  
D.K. Gupta ◽  
A.K. Srivastava
Keyword(s):  
Comparative Study ◽  
Heat Of Formation ◽  
Molecular Connectivity

scholarly journals Some nitrogen-rich heterocycles derivatives as potential explosives and propellants: A theoretical study

2016 ◽  
Vol 81 (6) ◽  
pp. 687-695
Author(s):  
Dany Frem
Keyword(s):  
Condensed Phase ◽  
Detonation Velocity ◽  
Energetic Materials ◽  
Theoretical Study ◽  
Specific Impulse ◽  
Heat Of Formation ◽  
Rocket Propellant ◽  
Crystal Density ◽  
Detonation Velocity And Pressure ◽  
Thermochemical Code

Four types of nitrogen-rich heterocycles substituted with -NO2, -NHNO2 and -C(NO2)3 explosophoric groups were explored as potential explosives and propellants materials. The calculated crystal density (?0)and the condensed phase heat of formation (?H?0f)for each of the twelve structures investigated shows that all these derivatives possess high (1.834-1.980 g cm-3)(?H?0f) and (605-2130 kJ kg-1) values. Interesting properties such as detonation velocity (D), pressure (P) and specific impulse (Isp) were calculated using the Kamlet-Jacobs method and ISPBKW thermochemical code. Detonation velocity and pressure in excess of 8.44 km s-1 and 32.87 GPa was obtained in all cases. Furthermore, trinitromethyl substituted derivatives shows performance exceeding that of HMX with an estimated D = 9.32-9.72 km s-1 and P = 40.61-43.82 GPa. Some -NO2 and -NHNO2 substituted derivatives were shown to be impact insensitive while retaining good detonation performance and thus are regarded as potential replacement for current RDX -based explosives. Finally, the calculated specific impulse (Isp between 248 and 270 s) of all investigated derivatives indicate that these energetic materials can be considered as possible ingredient in future rocket propellant compositions.

scholarly journals Theoretical studies of novel high energy density materials based on oxadiazoles

2021 ◽  
Author(s):  
Wenxin Xia ◽  
Renfa Zhang ◽  
Xiaosong Xu ◽  
Congming Ma ◽  
Peng Ma ◽  
...  
Keyword(s):  
Density Functional ◽  
High Energy ◽  
Heat Of Formation ◽  
High Energy Density ◽  
Detonation Properties ◽  
Detonation Pressure ◽  
Energetic Compounds ◽  
Functional Theory ◽  
High Energy Density Materials ◽  
Thermal Stability Of

Abstract In this study, 32 energetic compounds were designed using oxadiazoles (1,2,5-oxadiazole, 1,3,4-oxadiazole) as the parent by inserting different groups as well as changing the bridge between the parent. These compounds had high-density and excellent detonation properties. The electrostatic potentials of the designed compounds were analyzed using density functional theory (DFT). The structure, heat of formation (HOF), density, detonation performances (detonation pressure P , detonation velocity D , detonation heat Q ), and thermal stability of each compound were systematically studied based on molecular dynamics. The results showed that the -N 3 group has the greatest improvement in HOF. For the detonation performances, the directly linked, -N=N-, -NH-NH- were beneficial when used as a bridge between 1,2,5-oxadiazole and 1,3,4-oxadiazole, and it can also be found that bridge changing had little effect on the trend of detonation performance, while energetic groups changing influenced differently. The designed compounds (except for A2 , B2 , B4 ) all had higher detonation properties than TNT, A6 ( D = 9.41 km s -1 , P = 41.86 GPa, Q = 1572.251 cal g -1 ) was the highest, followed D6 had poorer performance ( D = 8.96 km s -1 , P = 37.46 GPa, Q = 1354.51 cal g -1 ).

Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride

2020 ◽  
Vol 76 (8) ◽  
pp. 821-827
Author(s):  
Hongya Li ◽  
Biao Yan ◽  
Haixia Ma ◽  
Xiangrong Ma ◽  
Zhiyong Sun ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Detonation Velocity ◽  
Theoretical Calculations ◽  
Dimensional Structure ◽  
Detonation Pressure ◽  
X Ray Diffraction ◽  
Equivalent Equation ◽  
Experimental Values ◽  
Experimental Density

Bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride (BATZM·Cl2 or C5H10N8 2+·2Cl−) was synthesized and crystallized, and the crystal structure was characterized by single-crystal X-ray diffraction; it belongs to the space group C2/c (monoclinic) with Z = 4. The structure of BATZM·Cl2 can be described as a V-shaped molecule with reasonable chemical geometry and no disorder, and its one-dimensional structure can be described as a rhombic helix. The specific molar heat capacity (Cp ,m) of BATZM·Cl2 was determined using the continuous C p mode of a microcalorimeter and theoretical calculations, and the Cp ,m value is 276.18 J K−1 mol−1 at 298.15 K. The relative deviations between the theoretical and experimental values of Cp ,m, HT – H 298.15K and ST – S 298.15K of BATZM·Cl2 are almost equivalent at each temperature. The detonation velocity (D) and detonation pressure (P) of BATZM·Cl2 were estimated using the nitrogen equivalent equation according to the experimental density; BATZM·Cl2 has a higher detonation velocity (7143.60 ± 3.66 m s−1) and detonation pressure (21.49 ± 0.03 GPa) than TNT. The above results for BATZM·Cl2 are compared with those of bis(5-amino-1,2,4-triazol-3-yl)methane (BATZM) and the effect of salt formation on them is discussed.

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