Method for rapidly predicting binding capacity of HMX explosive and binder

The invention discloses a method for rapidly predicting the binding capacity of an HMX explosive and a binder, and relates to the technical field of composite energetic materials.The method comprises the steps that a hydrocarbon type high polymer, a fluorocarbon type high polymer and an energetic high polymer are selected as binders; optimizing the HMX initial unit cell structure, and establishing a supercell; constructing a binder model; selecting the number of molecular chains, constructing an upper binder molecular layer, and carrying out geometric optimization of molecular dynamics to obtain a final equilibrium conformation; constructing a double-layer model of the PBX system through the constructed HMX crystal face layer and the corresponding binder molecular layer; fixing Cartesian coordinates of the lower half space of the crystal layer, and performing molecular dynamics simulation on the constructed PBX system double-layer model; performing interface interaction simulation calculation of the PBX syste