Dissipative particle dynamics(DPD)simulations were performed to investigate the polymer-bonded explosives(PBXs)where the explosive base was the energy co-crystal compound,2,4,6,8,10,12-hexanitro-2,4,6,8,10,12–hexazaisowurtzitane/2,4,6-trinitrotoluene(CL-20/TNT),and the polymer binders were separately poly(vinylidene difluoride)(PVDF),polychlorotrifluoroethylene(PCTFE),and two kinds of poly[(vinylidene difluoride)-ran-chlorotrifluoroethylene)] respectively with the ratios of 1:1 and 1:3,namely F2311 and F2313.The interaction parameters which were used in DPD simulations were estimated by atomistic molecular dynamic simulations.Interfacial tension,diffusion coefficient,gyration radius of binder and pair correlation function were reported and these theoretical values were used to analyze the adhesion properties and interfacial structures in the PBXs.The results show that F2313 gives best overall property among these four binders.