| 聚氨酯结构与径向分布的分子动力学模拟 |
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| 引用本文： | 崔慧娜,黄整,陈波,白亮飞,潘敏.聚氨酯结构与径向分布的分子动力学模拟[J].原子与分子物理学报,2018,35(1):122-126. |
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| 作者姓名： | 崔慧娜 黄整 陈波 白亮飞 潘敏 |
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| 作者单位： | 西南交通大学物理与科学技术学院,西南交通大学物理与科学技术学院,中国工程物理研究院核物理与化学所,中国工程物理研究院核物理与化学所,西南交通大学超导与新能源研究开发中心 |
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| 摘 要： | 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.
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| 关 键 词： | 分子动力学，聚氨酯，径向分布函数，HTPB |
| 收稿时间： | 2016/10/26 0:00:00 |
| 修稿时间： | 2016/11/8 0:00:00 |
Molecular structure and radial distribution functions for polyurethane using Molecular Dynamics Simulation |
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| Cui Hui-N,Huang Zheng,Chen Bo,Bai Liang-Fei and Pan Min.Molecular structure and radial distribution functions for polyurethane using Molecular Dynamics Simulation[J].Journal of Atomic and Molecular Physics,2018,35(1):122-126. |
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| Authors: | Cui Hui-N Huang Zheng Chen Bo Bai Liang-Fei and Pan Min |
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| Institution: | Southwest Jiaotong university,,Institute of nuclear physics and chemistry, China Academy of Engineering Physics, Mianyang, Sichuan 621900 P.R.China,Institute of nuclear physics and chemistry, China Academy of Engineering Physics, Mianyang, Sichuan 621900 P.R.China,Southwest Jiaotong university |
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| Abstract: | 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. |
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| Keywords: | Molecular dynamics Polyurethane Distribution functions HTPB |
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