Study Of Ionic Liquid Mixture Droplet Evolution In An External Electric Field Using Molecular Dynamics

被引：5
|
作者：
Mehta, Neil A. [1 ]
Levin, Deborah A. [1 ]
机构：
[1] Univ Illinois, Dept Aerosp Engn, 104 S Wright St, Urbana, IL 61801 USA
来源：
31ST INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS (RGD31) | 2019年 / 2132卷
关键词：
D O I：
10.1063/1.5119535
中图分类号：
TP301 [理论、方法];
学科分类号：
081202 ;
摘要：
Molecular dynamics (MD) simulations are used to study the evolution of droplets formed from the mixture of two ionic liquids, namely, ethylammonium nitrate (EAN) and 1-ethyl-3-methylimidazolium ethyl sulfate (EMIM-EtSO4) in the presence of an external electric field. It was found that increasing the fraction of EMIM-EtSO4 in the droplet structure makes it electrostatically weaker. However, the time required for the first cations and anions to reach the sampling zone was found to be longer for droplets with a higher mass fraction of EMIM-EtSO4 due to more the massive cation and anion size compared to that of EAN.
引用
收藏
页数：7
相关论文
共 50 条
  • [1] Molecular dynamics study of sessile ionic nanodroplet under external electric field
    Chatterjee, Shilpi
    Hens, Abhiram
    Ghanta, Kartik Chandra
    Biswas, Gautam
    [J]. CHEMICAL ENGINEERING SCIENCE, 2021, 229
  • [2] Molecular dynamics study of sessile ionic nanodroplet under external electric field
    Chatterjee, Shilpi
    Hens, Abhiram
    Ghanta, Kartik Chandra
    Biswas, Gautam
    [J]. Chemical Engineering Science, 2022, 229
  • [3] The effect of an external electric field on the structure of liquid water using molecular dynamics simulations
    Jung, DH
    Yang, JH
    Jhon, MS
    [J]. CHEMICAL PHYSICS, 1999, 244 (2-3) : 331 - 337
  • [4] Effect of an external electric field on the dynamics and intramolecular structures of ions in an ionic liquid
    Clark, Ryan
    von Domaros, Michael
    McIntosh, Alastair J. S.
    Luzar, Alenka
    Kirchner, Barbara
    Welton, Tom
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2019, 151 (16):
  • [5] Structure of ionic liquids under external electric field: a molecular dynamics simulation
    Zhao, Yuling
    Dong, Kun
    Liu, Xiaomin
    Zhang, Suojiang
    Zhu, Jianjun
    Wang, Jianji
    [J]. MOLECULAR SIMULATION, 2012, 38 (03) : 172 - 178
  • [6] Ionic liquids in external electric and electromagnetic fields: a molecular dynamics study
    English, Niall J.
    Mooney, Damian A.
    O'Brien, Stephen
    [J]. MOLECULAR PHYSICS, 2011, 109 (04) : 625 - 638
  • [7] Comparison of two protic ionic liquid behaviors in the presence of an electric field using molecular dynamics
    Mehta, Neil A.
    Levin, Deborah A.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2017, 147 (23):
  • [8] Wettability of a nano-droplet in an electric field: A molecular dynamics study
    Zong, Diyuan
    Yang, Zhen
    Duan, Yuanyuan
    [J]. APPLIED THERMAL ENGINEERING, 2017, 122 : 71 - 79
  • [9] Molecular dynamics simulation of liquid methanol under the influence of an external electric field
    Sun, W
    Chen, Z
    Huang, SY
    [J]. FLUID PHASE EQUILIBRIA, 2005, 238 (01) : 20 - 25
  • [10] Molecular dynamics simulation of liquid water under the influence of an external electric field
    Wei, S
    Zhong, C
    Su-Yi, H
    [J]. MOLECULAR SIMULATION, 2005, 31 (08) : 555 - 559
12345