The development of gun propellants from 2010 to 2016 has been a broad endeavor. Researchers worldwide have examined every facet of energetic materials involved with gun propulsion in efforts to improve both safety and performance. They have looked at individual molecules to maximize energy content, as well as revisiting past molecules and improving upon their original properties. A great deal o...

A large amount of energetic materials including propellants, high explosives, pyrotechnics are subjected to disposal either due to expiry of their useful life or rejection in the manufacturing process. The environmental regulations do not allow the hazardous materials for open burning / detonation in view of the health hazard involved in these operations. The present paper describes the hazard ...

The fundamental processes in shock-induced instabilities of materials remain obscure, particularly for detonation of energetic materials. We simulated these processes at the atomic scale on a realistic model of a polymer-bonded explosive (3,695,375 atoms/cell) and observed that a hot spot forms at the nonuniform interface, arising from shear relaxation that results in shear along the interface ...

The oxidation of 1,1-dimethylhydrazine with aqueous monochloramine yielded (E)-1,1,4,4-tetramethyl-2-tetrazene (1) as a pale yellow liquid with hypergolic properties. 1 can be oxidized with potassium permanganate to form (E)-1-formyl-1,4,4-trimethyl-2-tetrazene (2) and (E)-1,4-diformyl-1,4dimethyl-2-tetrazene (3). Additionally, 1 reacts with a diethyl ether solution of monochloramine to form a ...

N-Nitramino/N-oxyl functionalization strategies were employed to investigate structure-property relationships of energetic materials. Based on single-crystal diffraction data, π-π stacking of pyrazole backbones can be tailored effectively by energetic functionalities, thereby resulting in diversified energetic compounds. Among them, hydroxylammonium 4-amino-3,5-dinitro-1H-pyrazol-1-olate and di...

We present a combined quantum-chemical and Monte Carlo approach for calculating exciton transport properties in disordered organic materials starting from the molecular scale. We show that traps and energetic disorder are the main limitations for exciton diffusion in conjugated polymers. An analytical model for exciton hopping in a medium of sites with uncorellated energetic disorder gives a qu...

The synthesis of 3-amino-1-nitroguanidine (3-ANQ) and 5-hydrazino tetrazole (5-HT) derivatives as new energetic materials are described. Reaction of 3-ANQ with triethyl orthoformate leads to the formation of 3-nitramino triazole while no reaction was observed whit 5-HT. Addition of NaN3 to a mixture of 3-ANQ and triethyl orthoformate, afforded 1-nitroguanidyl tetrazole in excelle...

Commonly available, nonconventional energetic materials such as H2O2, ammonium nitrates (AN), as well as reactive materials (e.g., mixtures of metals and metal oxides), and conventional plastic explosives primarily made of pentaerythritol tetranitrate (PETN), cyclotrimethylene trinitramine (RDX), cyclotetramethylene-tetranitramine (HMX), and triaminotrinitrobenzene (TATB), are often materials u...