当前位置: X-MOL 学术Chem. Eng. Sci. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Molecular dynamics study of sessile ionic nanodroplet under external electric field
Chemical Engineering Science ( IF 4.1 ) Pub Date : 2021-01-01 , DOI: 10.1016/j.ces.2020.116143
Shilpi Chatterjee , Abhiram Hens , Kartik Chandra Ghanta , Gautam Biswas

Abstract Effect of external electric field and surface temperature on the dynamics of a sessile ionic nanodroplet has been investigated using classical molecular dynamics (MD) simulations. The study investigates the spreading, evaporation and deformation behavior of a salt-water nanodroplet on a solid Pt surface in the presence and absence of external electric field. Varying the intensity and direction of the external electric field, a series of MD simulations were carried out considering a moderate concentration of ionic solution to understand these phenomena at molecular level. In the presence of salt ions, effect of hydration becomes more dominant which resists the deformation of the nanodroplet. It was also found that vertical electric field leads to the formation of nanobridge/column like structures beyond some critical field intensities. In addition to the electro-evaporation, the present study probes the effect of surface temperature on the evaporation and spreading process of the sessile ionic nanodroplet.

中文翻译:

外电场作用下固着离子纳米液滴的分子动力学研究

摘要 使用经典分子动力学 (MD) 模拟研究了外部电场和表面温度对固定离子纳米液滴动力学的影响。该研究调查了在存在和不存在外部电场的情况下,盐水纳米液滴在固体 Pt 表面上的扩散、蒸发和变形行为。改变外部电场的强度和方向,考虑中等浓度的离子溶液,进行了一系列 MD 模拟,以在分子水平上理解这些现象。在盐离子的存在下,水化作用变得更加显着,从而阻止了纳米液滴的变形。还发现垂直电场导致形成纳米桥/柱状结构超出某些临界场强。
更新日期:2021-01-01
down
wechat
bug