丙烯腈含量对氢化丁腈橡胶热学性能影响的 分子动力学模拟研究 |
Study on Molecular Dynamic Simulation of Effect of ACN Content on Thermal Properties of HNBR |
投稿时间:2022-10-22 修订日期:2022-10-22 |
DOI:10.12136/j.issn.1000-890X.2024.02.0083 |
中文关键词: 氢化丁腈橡胶 丙烯腈 分子动力学模拟 热学性能 |
英文关键词: HNBR ACN molecular dynamic simulation thermal property |
基金项目:山东省自然科学基金项目(ZR2019MEM050) |
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中文摘要: |
利用分子动力学方法构建氢化丁腈橡胶(HNBR)模型,研究丙烯腈(ACN)含量对HNBR热学性能的影响。结果表明:随着ACN质量分数的增大,HNBR分子链的取向性下降,HNBR的热导率减小,玻璃化温度升高,耐低温性能下降;分子的非键能和二面角扭转能对HNBR的玻璃化转变过程有重要影响。 |
英文摘要: |
A molecular dynamics method was used to construct a model of hydrogenated nitrile butadiene rubber(HNBR) to study the effect of acrylonitrile(ACN) mass fraction on the thermal properties of HNBR.The results showed that as ACN mass fraction increased,the orientation of HNBR molecular chains of HNBR decreased,the thermal conductivity was reduced,the glass transition temperature rose,and the low-temperature resistance decreased.The non-bonding energy and dihedral angle torsional energy of the molecule had important effects on the glass transition process of HNBR. |
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