New coupling mechanism of the silane coupling agents in the TATB-based PBX

Behaviours of the silane coupling agents in 1,3,5-triamino-2,4,6-trinitrobenzene (TATB)-based polymer bonded explosives (PBXs) were investigated using dissipative particle dynamics simulations. A new and extraordinary coupling mechanism of the silane coupling agent in TATB-based PBXs was revealed, in which the binding between the binders and TATB was improved by making the TATB's affinitive structure units of binders assembling at the interface, whereas the TATB's unaffinitive structure units are bonded together by the silane coupling agent shrinking into the binders. This is quite different from the traditional view, i.e. the coupling agent usually stays at the interface.