Intermolecular Interaction and Electric Field Dependence of Reverse Micelle on Water Tree Initiation in Polyethylene
Intermolecular Interaction and Electric Field Dependence of Reverse Micelle on Water Tree Initiation in Polyethylene
复制标题
聚乙烯中反胶束的分子间相互作用和电场依赖性对水树引发的影响
DOI：
10.1109/ceidp47102.2019.9009701
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发表时间：
2019
期刊：
影响因子：
--
通讯作者：
Y. Cao
中科院分区：
文献类型：
--
作者：
H. Uehara;T. okamoto;S. Iwata;Y. Sekii;T. Takada;Y. Cao
实验发现，当聚乙烯（PE）中添加两亲性表面活性剂时，水树的引发，尤其是领结树（BTT）的引发受到抑制。在本研究中，我们通过分子动力学（MD）模拟和量子化学计算分析了PE、两亲性表面活性剂和水分子之间的分子间相互作用。此外，我们确认表面活性剂和水分子形成反胶束，并研究电场存在或不存在的影响。
It has been experimentally found that when amphiphilic surfactants are added to polyethylene (PE), water tree initiation, especially that of bow-tie trees (BTTs), is suppressed. In this study, we analyze the intermolecular interactions among PE, amphiphilic surfactants, and water molecules by molecular dynamics (MD) simulation and quantum chemical calculation. Moreover, we confirm that the surfactants and water molecules form a reverse micelle, and investigate the effect of the presence or absence of an electric field.