Abstract In order to apply the high nitrogen-content tetrazole derivatives (TZD), a class of energy materials with great potential, into gun propellant, we propose novel idea that grafting acidized TZD onto cellulose and then nitrifying grafted obtain nitrocellulose by (TZDNC). Theoretical predictions suggest Replacing (NC) TZDNC, due having higher TZDNC than traditional NC, can evidently reduc...

The NO2 fission reaction of gas phase R-HMX has been studied using a direct ab initio method within the framework of microcanonical variational transition state theory (μVT). The potential energy calculations were calculated using the hybrid nonlocal B3LYP density functional theory with the cc-pVDZ basis set. The calculated results show that the potential energy of breaking the axial NO2 groups...

Fluorescence immunoassays employing monoclonal antibodies directed against the explosive 2,4,6-trinitrotoluene (TNT) were conducted in a multi-channel microimmunosensor. The multi-channel microimmunosensor was prepared in poly (methyl methacrylate) (PMMA) via hot embossing from a brass molding tool. The multi-channeled microfluidic device was sol-gel coated to generate a siloxane surface that p...

The performance of density functional theories (DFT) in predicting structural parameters for six conventional energetic materials (EM) over various degrees of compression was examined for a wide range of pressures. The systems studied were nitromethane, 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX), cyclotrimethylenetrinitramine (RDX), 2,4,6,8,10,12hexanitrohexaazaisowurzitane (CL-20), 2...

A novel porous organosilicate material was evaluated for application as a solid phase extraction sorbent for preconcentration of nitroenergetic targets from aqueous solution prior to HPLC analysis. The performance of the sorbent in spiked deionized water, groundwater, and surface water was evaluated. Targets considered included 2,4,6-trinitrotoluene, 2,4-dinitrotoluene, RDX, HMX, and nitroglyce...