Interfacial Interaction Between NPBA and HMX

In order to explore the interfacial interaction mechanisms of neutral polymeric bonding agent (NPBA) and HMX, which is important for molecular design of NPBA, their interfacial bonding is evaluated by using molecular dynamics simulation. The interfacial tension and the work of adhesion between NPBA and HMX are measured by means of the dynamic contact angle meter and tension meter. The results show that the H-bond and van der Waals force could be formed on the interface among three kinds of NPBA molecules and HMX crystals. In general, the NPBA with -COOCH₃ group has higher interfacial bonding than that containing -COOCH₂CH₂OH group. With the increase in -CN content in NPBA, the interfacial bonding increases as well, resulting in the enhanced tensile strength of the corresponding propellants.