计算力学学报2018，Vol.35Issue(3)：344-349,6.DOI:10.7511/jslx20161111001
聚合物粘结剂PVP、PAM和PVA结构与性能的分子动力学研究
Structures and properties of polymer binders PVP ,PAM and PVA by a molecular dynamics simulation method
摘要
Abstract
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.关键词
聚合物粘结剂/分子动力学/内聚能密度/结合能/机械性能Key words
polymer binder/molecular dynamics/cohesive energy density/binding energy/mechanical properties分类
化学化工引用本文复制引用
柴卫红,汪焰恩,魏庆华,杨明明,张映锋,魏生民..聚合物粘结剂PVP、PAM和PVA结构与性能的分子动力学研究[J].计算力学学报,2018,35(3):344-349,6.基金项目
国家自然科学基金(51175432) （51175432）
教育部高校博士点专项科研基金(20116102110046) （20116102110046）
中央高校基础研究基金(3102014JCS05007) （3102014JCS05007）
陕西省工业科技攻关项目(2015GY047)资助项目. （2015GY047）
