Comparison of the interfacial bonding interaction between GAP matrix and ionic/non-ionic explosive: Computation simulation and experimental study

Abstract

Experimental has been performed on the interfacial interaction between glycidyl azide polymer (GAP) and the novel ionic explosive 5,5′-bistetrazole-1,1′-diolate (TKX-50) in contrast with the most commonly used non-ionic explosive cyclotetramethylene tetranitramine (HMX). Stronger adhesion energy was exhibited for TKX-50/GAP through interfacial tension, static and dynamic mechanical studies. To further reveal the interaction mechanism, the morphology surfaces have been predicted with the most stable (011) surfaces for both crystals. It was found that the binding energy between GAP and TKX-50 was stronger than HMX and stronger hydrogen bonds and van der Waals interaction exist between interface of GAP molecules and TKX-50 surfaces owing to the polar azide groups with least steric hindrace and the positively NH3OH+ cations.