Mesoscopic simulation of aggregate behaviour of fluoropolymers in the TATB-based PBX

The aggregate behaviours of fluoropolymers F-2311, F-2312, F-2313 and F-2314 in TATB-based PBX were studied using the dissipative particle dynamics method. All of these four different fluoropolymers form the mesh-ball-like structure, in which the triaminotrinitrobenzene (TATB) explosive is wrapped. The self-aggregate behaviour and the poor wrap property of fluoropolymers in the TATB-based PBX are consistent with the experimental observation. Simulations with various chlorotrifluoroethylene (CTFE) contents were made. Results indicate that some fluoropolymers are disengaged from the main spherical phases forming a new small spherical phase with the increasing of CTFE content in fluoropolymers. The fluoropolymers form mesh and honeycomb structures at 350 and 400 K, respectively. In addition, the dynamic behaviour of fluoropolymers in TATB-based PBX was also studied and analysed in detail.