聚合物粘结剂PVP,PAM和PVA结构与性能的分子动力学研究

During the process of bone scaffold manufacturing with 3D printing technology,the properties of binder is a key factor that affects the quality of bone scaffold. In this paper,a molecular dynamics simulation method was applied to build and simulate the models of three commonly used polymer binders,and some properties of polymer binders PVP,PAM and PVP are investigated from a microscopic molecular level,such as density,cohesive energy and mechanical properties.The performance parameters of three binders are compared and studied,and then the internal relations are also revealed.Moreover,the interaction models of binders and HA surfaces are constructed,and the interfacial bonding energies are calculated and compared respectively,and the root reason affecting polymer bonding properties is also found.This work not only predicts the basic properties of commonly used binder,but also provides the theoretical basis for the choice of binder for the bone scaffold manufacturing by 3D printing technology.