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Effect of adding epoxy groups to poly (butyl acrylate) on electro- viscoelastic response: Insight from molecular dynamics simulation
Polymer ( IF 4.1 ) Pub Date : 2020-03-04 , DOI: 10.1016/j.polymer.2020.122349
Han Qin , Nanying Ning , Ming Tian , Liqun Zhang , Jianguo Mi

Using the all-atom molecular dynamics simulations integrated with the time−temperature superposition principle, we have probed the dielectric modification of poly (butyl acrylate), for example, to understand the effect of added polar groups on the dielectric and viscoelastic properties of poly (butyl acrylate-co-glycidyl methacrylate). We have verified that, after addition of 22% glycidyl methacrylate to formulate the copolymer, its dielectric permittivity can be improved about 50%, whereas the corresponding dielectric loss has been not significantly raised at low frequency. On the other hand, according to the hysteresis losses of tension–recovery and compression–recovery processes, the permanent deformation of poly (butyl acrylate) has also been diminished. Due to the significant increase of modulus, the actuated strain drops about 20%. As a consequence, the effective simulation method is capable of quantitatively evaluating the contribution of polar groups to the electro-mechanical coupling of dielectric elastomers.



中文翻译:

在聚丙烯酸丁酯中添加环氧基对电粘弹性响应的影响:分子动力学模拟的启示

使用结合时-温叠加原理的全原子分子动力学模拟,我们探究了聚(丙烯酸丁酯)的介电改性,例如,以了解添加的极性基团对聚(丙烯酸酯)的介电和粘弹性的影响丙烯酸丁酯-甲基丙烯酸共缩水甘油酯)。我们已经证实,在添加22%的甲基丙烯酸缩水甘油酯以配制共聚物之后,其介电常数可以提高约50%,而相应的介电损耗在低频下并未显着提高。另一方面,根据张力恢复和压缩恢复过程的磁滞损耗,聚(丙烯酸丁酯)的永久变形也已减少。由于模量的显着增加,致动应变下降了约20%。

更新日期:2020-03-04
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