We present preliminary work on the formation of HONO in condensed-phase HMX for the three pure polymorphic phases. Our results show that the energetics of the intermolecular hydrogen transfer (to form HONO on an adjacent molecule) is more favorable in d-HMX than in a-HMX and b-HMX. The energetics of this intermolecular hydrogen transfer process follow the same trends of HMX sensitivity, where d...

Atomistic simulations were used to calculate the isothermal elastic properties for b-, a-, and d-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine ~HMX!. The room-temperature isotherm for each polymorph was computed in the pressure interval 0<p<10.6 GPa and was used to extract the initial isothermal bulk modulus Ko and its pressure derivative using equations of state employed previously in exper...

The thermal decomposition mechanism of a newly designed composite material KClO3-HMX (KC-HMX) is investigated by combined TG-DSC-FTIR technique and T/Jump in-situ thermolysis cell/FTIR (T/Jump FTIR) technique.It is shown that KC-HMX began to decompose at about 266°C without melting, and the fast stage of mass loss at the temperature range of 268.4~290.1°C is considered to be the result of the t...

Dihydroxylammonium 5,50-bistetrazole-1,10-diolate (TKX-50) is a newly synthesized explosive with excellent comprehensive properties. Cyclotetramethylenetetranitramine (HMX) is currently one of the highest energy explosives used around the world. TKX-50/HMX cocrystal can improve the defects of TKX-50 and HMX and vastly expand their application scope. TKX-50 and HMX supercell structures and TKX-5...

NO2 fission is a vital factor for 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) decomposition. In this study, the geometry of the gas-phase RDX and HMX molecules was optimized, and the bond order and the bond dissociation energy of the N-N bonds were examined. Moreover, the rate constants of the gas-phase RDX and HMX conformers, concernin...

The ability of ruminal microorganisms to degrade octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (high melting explosive, HMX) as consortia from whole rumen fluid (WRF), and individually as 23 commercially available ruminal strains, was compared under anaerobic conditions. Compound degradation was monitored by high-performance liquid chromatography, followed by liquid chromatography-tandem mas...

HMX decomposition kinetics are usually calibrated in the temperature range around 200 °C. This leads to an underestimation of several orders magnitude thermal explosion times during impacts compared measurements collected Henson and Smilowitz, Non-shock initiation explosives, Shock wave science technology reference library, 2010. It highlights incomplete physics used single- or multi-stage mode...