In order to explore more effective approach in molecular design of neutral polymeric bonding agent( NPBA) than semi-empirical and semi-quantitative method,MesoDyn module of Materials Studio was used to simulate mesoscopic phase segregation of three NPBAs in energetic plasticizer /prepolymer mixture,as described in U. S. Patent No. 4915755. It is shown that the order parameter of NPBA in the mixture at 303 K( 30 ℃) is higher than that of the NPBA at 333 K( 60 ℃),which means that phase segregation at low temp...