纳米水液膜蒸发行为的分子动力学模拟  

Molecular Dynamics Simulation of Evaporation Behavior of Water Nanofilm

作　　者：李瑞静[1] 王宝和[1] 

机构地区：[1]大连理工大学化工学院,辽宁大连116024

出　　处：《干燥技术与设备》2016年第1期15-20,共6页

摘　　要：采用分子动力学模拟方法,从分子层次研究了纳米水液膜的蒸发过程,探讨水分子数、壁面能量参数、温度等因素对纳米水液膜密度分布、汽-液界面厚度的影响。模拟结果表明,水分子数和壁面能量参数对汽-液界面厚度影响不大。随着模拟温度的增加,汽-液界面厚度逐渐增加;液相主体密度逐渐减小。In this paper, the molecular dynamics simulation method is used to simulate the evaporation process of water nanofilm from the nanometer level. Factors such as temperature, wall potential parameters, the number of water molecules were considered to research on the evaporation behavior of water molecules such as the density distribution, the thickness of the vapor-liquid interface, etc. Simulation results show that the number of water molecules and the wall potential parameter have little effect on the thickness of the vapor-liquid interface. With the increase of simulated temperature, the thickness of vapor-liquid interface increases gradually and liquid density decreases.

关 键 词：纳米水液膜 分子动力学模拟 汽-液界面 

分 类 号：TB4[一般工业技术]