聚氨酯结构与径向分布的分子动力学模拟
Molecular structure and radial distribution functions for polyurethane using Molecular Dynamics Simulation

采用分子动力学方法计算得到DHI-乙烯醇聚合体系统的结构和径向分布函数。讨论了系统结构和径向分布函数与温度和压力之间的关系。结果表明粘合系统的空间分布一般地随着温度和压力的增加而收窄，对增加聚氨酯系统的粘合性具有积极的意义。
The structures and distance distribution functions of DHI-butyl alcohol polymerization system are calculated by using molecular dynamics method. The relationships of the system structure and the distance distribution functions with the temperature and pressure are discussed. The effects of temperature and pressure on the curing system and mechanism are analyzed. The results show a positive significance for the increase of the adhesion of the polyurethane system.