PURPOSE: Iron has been used to reduce organic contaminants including high explosives (HE) such as Research Department Explosive (RDX). Work is ongoing at the U.S. Army Engineer Research and Development Center (ERDC) to develop guidelines for using iron bed reactors to remove RDX in surface water runoff from the impact areas of firing ranges. As part of this work, a mathematical model was develo...

We extend the reactive force field ReaxFF to describe the high energy nitramine RDX and use it with molecular dynamics (MD) to study its shock-induced chemistry. We studied shock propagation via nonequilibrium MD simulations at various collision velocities. We find that for high impact velocities (>6 km/s) the RDX molecules decompose and react to form a variety of small molecules in very short ...

Explosives materials are stable in soil and recalcitrant to biodegradation. Different authors report that TNT (2,4,6-trinitrotoluene), RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) and HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) are toxic, but most investigations have been performed in artificial soil with individual substances. The aim of the presented research was to assess the tox...

nanoparticles of zinc sulfide as undoped and doped with copper were used as photocatalyst in the photodegradation of hmx (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) and rdx (hexahydro-1,3,5-trinitro-1,3,5-triazine) as nitramine explosives under uv and vis irradiations. photoreactivity of doped zinc sulfide was varied with dopant, mole fraction of dopant to zinc ion, ph of solution, dosag...

The results of this study indicate that the presence of plants did enhance TNT and TNB removal from IAAP groundwater. Most effective at 25 degrees C were reed canary grass, coontail and pondweed. Groundwater and plant tissue analyses indicate that in presence of the plants tested TNT is degraded to reduced by-products and to other metabolites that were not analyzed. TNT removal was best modeled...

Gas phase hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) is a relatively stable molecule which releases a large amount of energy upon decomposition. Although gas-phase unimolecular decomposition experiments suggest at least two major pathways, there is no mechanistic understanding of the reactions involving RDX or other energetic molecules (such as HMX and TATB), used in applications ranging fro...

The high-pressure, high-temperature epsilon-form of the widely used explosive RDX has been structurally characterised using a combination of diffraction techniques, and a sample of this form has been successfully recovered to ambient pressure.

Cyclotrimethylene trinitramine (RDX) crystalizes in the orthorhombic α-phase at the ambient pressure and temperature. In principle, the point defects commonly found in monatomic crystals, such as vacancies and interstitials, may exist in RDX as well. However, in molecular crystals one encounters additional point defects associated with the distortion of the molecules. A set of rotational defect...

1,3,5-trinitroperhydro-1,3,5-triazine (RDX), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), and pentaerythritol tetranitrate (PETN), the major components in plastic explosives, pose a significant threat to public safety. A quick, sensitive, and low-cost detection method for these non-volatile explosives is eagerly demanded. Here we present a fluo-spot approach, which can be employed fo...