论文标题
带电的纳米液内的水：结构和介电研究，具有新型水型fab/$ε$
Water inside charged nanoslits: Structure and Dielectric study with a novel water model FAB/$ε$
论文作者
论文摘要
在这项工作中，研究了石墨烯内电纳米斜率内的水的介电行为，以对电限制下的水分子进行分析。通过极化石墨烯的纳米斜率，在纳米孔内部产生电场。水分子是如何在这种类型的电气约束下结构的，这里使用的三个地点水模型是SCP/$ $ε$和Fab/$ε$，第一个是一个刚性模型，它是一个刚性模型，可改善SPC模型，第二个是一种灵活的模型，可改善三个站点的不固态和柔性元素的所有力场。
In this work, the dielectric behavior of water inside charged nanoslit of graphene is studied to analized the water molecules under electrical confinement; through polarizing the nanoslit of graphene, creating an electric field inside the nanopore. How the water molecules are structured under this type of electrical confinement is studied with two force fields of water, the three-site water models here used are the SCP/$ε$ and the FAB/$ε$, the first is a rigid model that improves the SPC model and the second is a flexible model that improves all the force fields of three sites non-polarizables and flexibles.
