摘要
用分子模拟技术系统地模拟了聚氨酯酰亚胺的结构和性能。模拟结果的可靠性通过所得模拟密度与实验值是否相符加以判断 ;非晶型结构的可靠性通过
It′s the first time to use molecular simulation to generate the structure and properties of polyurethane imide. The validity of model can be tested using optimized density with experimental data. The credit of the amorphous using can be probed with three methods. In the meantime discuss energy components of the force field used in this system. These will be helpful to succeed in simulating system which has soft and hard chain as well as a great number of repeat.
出处
《高分子材料科学与工程》
EI
CAS
CSCD
北大核心
2001年第4期109-112,共4页
Polymer Materials Science & Engineering
