摘要
采用分子动力学构建交联密度为0,10%,20%,30%和40%的氢化丁腈橡胶(HNBR)分子模型,研究交联密度对HNBR性能的影响。结果表明:HNBR分子模型的玻璃化转变温度(T_(g))随着交联密度的增大而升高,交联密度为0~10%时,T_(g)升高较快,交联密度大于10%时,T_(g)升高速率趋于平缓;HNBR分子模型的均方位移(MSD)随着交联密度的增大而减小,分子链的柔顺性变差,交联密度达到30%后,MSD变化较小;交联密度为0~30%时,HNBR分子模型的拉伸性能随着交联密度的增大而提高,交联密度为30%时,HNBR分子模型的拉伸性能最好,交联密度大于30%时,晶格内应力集中,HNBR分子模型的拉伸性能随交联密度的增大而降低。
Molecular dynamics was used to construct the hydrogenated nitrile rubber(HNBR)molecular dynamic model with the crosslinking densities of 0,10%,20%,30%,and 40%,and the effect of crosslinking densities on the properties of HNBR was studied.The results showed that as the crosslinking density increased,the glass transition temperature(T_(g))of the HNBR molecular model increased.When the crosslinking density was 0~10%,T_(g) increased rapidly,and when the crosslinking density was greater than 10%,the rate of T_(g) increase tended to be gentle.As the crosslinking density increased,the mean square displacement(MSD)of the HNBR molecular model decreased,the flexibility of the molecular chains deteriorated,and after the crosslinking density reached 30%,the change of the MSD was relatively small.When the crosslinking density was 0~30%,the tensile properties of the HNBR molecular model were improved as the crosslinking density increased.When the crosslinking density was 30%,the tensile properties of the HNBR molecular model were the best.When the crosslinking density was higher than 30%,the stress was concentrated in the lattice,and the tensile properties of the HNBR molecular model decreased with the increase of the crosslinking density.
作者
刘伯旭
王泽鹏
马连湘
LIU Boxu;WANG Zepeng;MA Lianxiang(Qingdao University of Science and Technology,Qingdao 266061,China)
出处
《橡胶工业》
CAS
2024年第12期895-902,共8页
China Rubber Industry
基金
山东省自然科学基金资助项目(ZR2019MEMO504)。
关键词
分子动力学模拟
氢化丁腈橡胶
交联密度
玻璃化转变温度
均方位移
拉伸性能
molecular dynamics simulation
HNBR
crosslinking density
glass transition temperature
mean square displacement
tensile property
作者简介
刘伯旭(1998-),男,广西贺州人,青岛科技大学在读硕士研究生,主要从事橡胶材料分子动力学模拟研究。E-mail:1306226081@qq.com。
