Solubility parameters of bonding agent hydroxy terminated polybutadience (HTPB),conventional plasticizers and curing agent in solid propellant were calculated respectively by amorphous cell dynamics(ACD)，Synthia and Blend methods to predict the miscibility of these components. Results show that: Synthia method quantitatively simulates solubility parameters while ACD method qualitatively simulates solubility parameter, and Blend method exhibits the miscibility of components directly and the effects of extrinsic factors such as temperature and mole fraction. Simulation results are agreement with experimental results. The conventional plasticizers usually meets the miscible request of HTPB. The miscibility of isophorone diisocyanate(IPDI) or trimethylaziridinyl phosphine oxide(MAPO) with HTPB is better than that of toluene diisocyanate(TDI) and hexamethylene diisocyanate(HDI). The selection of curing agent emphasizes on curing effect, not miscible request but which may affect curing effect. The miscibility of energetic plasticizer with HTPB is not well.