Compatibility and mechanical properties of BAMO-AMMO/DIANP composites: A molecular dynamics simulation

To investigate the plasticizing effect of DIANP (1,5-diazido-3-nitrazapentane, an azido plasticizer) on the tri-block copolymer BAMO-AMMO (3,30-bisazidomethyloxetane-co-3-azidomethyl-30-methyloxetane, an energetic binder), various BAMO-AMMO/DIANP composites with the mass ratio of 66.9/33.1 (I), 49.2/50.8 (II), and 32.9/67.1 (III) were investigated using molecular dynamic (MD) simulations. First, different BAMO-AMMO copolymers were constructed and the one with the suitable ratio was screened. Then, the compatibility, intermolecular interactions, and mechanical properties of the BAMO-AMMO/DIANP composites were studied. It is found that DIANP has a good miscibility with BAMO-AMMO and can effectively improve the mechanical properties of BAMO-AMMO. III has the best tenacity and ductility and the lowest rigidity among three blends due to its highest intermolecular interactions. This work provides a practical guidance to the use of DIANP as a plasticizer in the BAMO-AMMO composites. (C) 2015 Elsevier B.V. All rights reserved.