The unusual effect of paraffin wax on the thermal decomposition of cyclotetramethylenetetranitramine

The practical application of paraffin wax (PW) in cyclotetramethylenetetranitramine (HMX)-based polymer-bonded explosive (PBX) requires an understanding of its effect on the thermal decomposition of HMX. In this work, by comparing the thermal decomposition of HMX and a HMX/PW mixture, combined with crystal morphology analysis, molecular dynamics simulation, kinetic analysis, and gas product analysis, the unusual phenomenon and mechanism of the PW effect on the thermal decomposition of HMX were evaluated. During the initial decomposition, PW infiltrates the crystal surface of HMX, reduces the energy barrier for chemical bond dissociation, and induces the decomposition of molecules on HMX crystals, resulting in a lower initial decomposition temperature. PW consumes the active gas produced by HMX with further thermal decomposition and inhibits the dramatic increase of the HMX thermal decomposition rate. In decomposition kinetics, this effect is manifested as PW inhibits transition from an n-order reaction to an autocatalytic reaction.