MOLECULAR SIMULATION STUDY OF SOLID PROPELLANT

In the research and development of advanced materials, molecular simulation technology is usually used to infer and predict the mesoscopic and macroscopic properties of products and materials. Especially in the field of energetic materials, predictive analysis is performed by molecular simulation technology before conducting experiments, which effectively reduces unnecessary experimental losses. Solid propellants have many components, and the interaction between the components will have a great impact on the properties of solid propellants. In this chapter, the related researches on the interaction mechanism of various components in solid propellants using molecular simulation methods in recent years are introduced in detail. The emphasis is on the interface performance between the binder and the filler, the molecular dynamics simulation of small molecule plasticizers, the application of energetic compound crystals and the compatibility between solid propellant components.