Experiment and simulation on plastication of NC by DIANP

The rate and quality of plasticizing for 1,5-diazido-3-nitrazapentane (DIANP) and nitroglycerine (NG) on nitrocellulose (NC) were compared using dynamic rheology and scanning electron microscope technologies. The solubility parameters of DIANP, NG and NC, and diffusion coefficients of DIANP and NG in NC matrix were calculated by molecular dynamics simulations. Meanwhile, the mesoscopic structure of NC/DIANP and NC/NG blend systems were established by mesoscopic dynamics simulations. Results show that DIANP has a larger diffusion coefficient (2.24×10^-10 m²·s^-1) than that of NG (1.39×10^-10 m²·s^-1) in NC matrix. Compared with NC,DIANP has a better plasticizing quality. The microscopic structures of the two blend systems above are in good agreement with the mesoscopic dynamics simulations results. Besides, the theoretical results of solubility parameters reveal that DIANP and NG have similar intermolecular force, whereas NG has almost the same type of intermolecular force with NC.