Improvement of Composite Propellants Energy Using Explosive Materials

Composite propellants are energetic materials have ability to ignite, burn fast and cause several simultaneous exothermic chemical reactions which produce huge amounts of gases under high pressures and temperatures which can spread spontaneously. 1n the present study, the explosive material hexogen (Cyclo tri-methylene tri-nitramine) was used to improve the performance properties of composite propellants, especially the specific impulse. For several formulations of hexogen at different added percentages, the specific impulse was calculated using thermodynamic calculations program of composite propellants. The results given were compared with those formulations not including hexogen. It was seen that; hexogen caused a significant positive effect in the specific impulse. Accordingly, the energy of composite propellant was improved positively in the samples containing hexogen till 40% of the oxidizer ratio. Also, it was noticed that the specific impulse began to decrease gradually for the oxidizers containing more than 40% of hexogen which caused in a decreasing of composite propellant energy. Finally, it was concluded that, the use of some amount of explosive materials like hexogen can improve composite propellants energy successfully.

Recruiting Perovskites to Degrade Toxic Trinitrotoluene

Everybody knows TNT, the most widely used explosive material and a universal measure of the destructiveness of explosions. A long history of use and extensive manufacture of toxic TNT leads to the accumulation of these materials in soil and groundwater, which is a significant concern for environmental safety and sustainability. Reliable and cost-efficient technologies for removing or detoxifying TNT from the environment are lacking. Despite the extreme urgency, this remains an outstanding challenge that often goes unnoticed. We report here that highly controlled energy release from explosive molecules can be accomplished rather easily by preparing TNT–perovskite mixtures with a tailored perovskite surface morphology at ambient conditions. These results offer new insight into understanding the sensitivity of high explosives to detonation initiation and enable many novel applications, such as new concepts in harvesting and converting chemical energy, the design of new, improved energetics with tunable characteristics, the development of powerful fuels and miniaturized detonators, and new ways for eliminating toxins from land and water.

Charged Forms of 2,6-Dinitro-1-oxidopyridin-1-ium-3,5-diamine - A DFT Treatment

The titled structure possesses many electron donating and attracting groups and should have push-pull type character. Its constitutional isomer, 2,6-diamino-3,5-dinitropyridine-N-oxide is a heat-resistant explosive material. In the present article, the charged forms of the titled structure have been investigated within the constraints of density functional theory at the level of UB3LYP/6-31++G(d,p). The calculations have revealed that it is electronically less stable than its isomer, 2,6-diamino-2,5-dinitropyridine-N-oxide. Some structural, electronic, quantum chemical and spectral behavior of ±1, ±2 type ions of it are considered presently.

Self-Acting Formation of an ANFO Similar Type of Explosive under Fire Conditions: A Case Study

On 2 October 2003 in Saint-Romain-en-Jarez (France) a fire in a farm building triggered an explosion in which 26 people were injured. Police investigation, based solely on an analysis of the effects and on general engineering knowledge, showed that the explosion was caused by an uncontrollably generated mixture of ammonium nitrate (AN) and molten plastic crates which formed an explosive mixture similar to ammonium nitrate fuel oil (ANFO). This is the only commonly known example of an ammonium nitrate blast taking place at its end user destination. Is such an explanation of the incident plausible and could a similar blast possibly happen anywhere else? The experimental results support this thesis of French investigators but raise further doubts. Laboratory reconstruction of the self-acting process of generating the explosive material confirmed the investigators’ report. However, other materials at the incident site could have influenced the final outcome too. The lab-recreated explosion of a mixture of AN and molten plastic partially confirmed the report’s thesis.

Some Diazodinitrophenol Isomers - A DFT Treatment

The present study considers a series of diazodinitrophenol isomers within the constraints of density functional theory at the level of B3LYP/311++G(d,p). One of the isomers in the series is known as DDNP which is a primary explosive material. Presently various dinitro substituted benzoxadiazol (bicyclic) and 2-diazo-1-oxide (azide) isomers analogous to DDNP have been focus of investigation. In all the cases the azide isomers have been found to be more stable electronically than the bicyclic counterparts. Various properties of them including quantum chemical ones are harvested, compared and discussed. Also NICS(0) values are obtained for the ring(s) and the local aromaticity values are discussed.

Effect of Selenium on TNAZ Molecule - A DFT Treatment

The present treatment deals with an unusual composite of TNAZ that is TNAZ+ nSe(n:1,2) within the constraints of density functional theory at the level of UB3LYP/6-31++G(d,p). TNAZ is an insensitive high explosive material. Since, selenium atom in its ground state has two unpaired electrons, the composites are considered in their singlet, triplet and quintet states. Selenium and TNAZ interact at different extents and the systems are electronically stable but TNAZ+2Se (singlet) structurally decomposes by the elongation of one of the geminally substituted nitro groups. Modeling studies indicate that the N-O bond elongation in the composite mentioned occurs only if azetidine ring is present with or without the nitramine bond. For the composites various structural, electronic and quantum chemical data have been harvested and discussed.

Some Trinitroazetidine Isomers - A DFT Treatment

The present study considers some trinitroazetidine isomers within the realm of density functional theory (B3LYP/6-311++G(d,p)). One of the isomers considered is 1,3,3-trinitroazetidine (TNAZ) which is the well known insensitive high energy explosive material. Various structural, energetic, quantum chemical and spectral properties of the isomers have been harvested and discussed. Some of the isomers have nitramine bonds and some possess only C-NO2 bonds. The results indicate that the nitramine moiety somewhat destabilizes the structure electronically but increases the impact insensitivity.

Propellant Stimulation and Hydraulic Fracturing

The Propellant Stimulation is applied to increase the permeability of rocks; a certain quantity of explosive material is donated at the bottom of the well opposite the producing layer, which causes many cracks in the near well area. A good Propellant Stimulation process must consider the explosive material quality and quantity, and the explosion should be prevented from vertically spread so all its energy will be used to crack the rocks. The first part of this chapter explains all the above in addition to the directed explosions and its calculation in an easy way. In the second part, I explained the Hydraulic Fracturing of the reservoir rocks in details, from principal elements of the process passing through cracking fluids, proppants, preparing the wells and ending with evaluating the effectiveness and discussing the methods of hydraulic fracturing. Hydraulic fracturing is the process of pumping fluid into a wellbore at an injection rate that is too high for the formation to accept without breaking. During injection the resistance to flow in the formation increases, the pressure in the wellbore increases to a value called the break-down pressure, that is the sum of the in-situ compressive stress and the strength of the formation. Once the formation “breaks down,” a fracture is formed, and the injected fluid flows through it.

Diagonally Compressed TNAZ - A DFT Treatment

TNAZ is an insensitive explosive material having a 4-membered azetidine ring system which has three nitro groups substituted, one of them is a nitramine type. In the present density functional treatise at the level of B3LYP/6-311++G(d,p), the 4-membered ring of TNAZ is compressed diagonally either along the X- or Y-axis direction. Various properties (including energies, quantum chemical and spectral etc.) in the perturbed systems have been searched and discussed.