Molecular Dynamics Simulations on Evaporation of Droplets with Dissolved Salts

Entropy

Bing-Bing Wang¹  Xiao-Dong Wang¹  Min Chen² 

[1] State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources, North China Electric Power University, Beijing 102206, China;Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China.

关键词: molecular dynamics simulations;    evaporation;    aqueous droplet;    salts;   

DOI  :  10.3390/e15041232

来源: mdpi

【 摘 要 】

Molecular dynamics simulations are used to study the evaporation of water droplets containing either dissolved LiCl, NaCl or KCl salt in a gaseous surrounding (nitrogen) with a constant high temperature of 600 K. The initial droplet has 298 K temperature and contains 1,120 water molecules, 0, 40, 80 or 120 salt molecules. The effects of the salt type and concentration on the evaporation rate are examined. Three stages with different evaporation rates are observed for all cases. In the initial stage of evaporation, the droplet evaporates slowly due to low droplet temperature and high evaporation latent heat for water, and pure water and aqueous solution have almost the same evaporation rates. In the second stage, evaporation rate is increased significantly, and evaporation is somewhat slower for the aqueous salt-containing droplet than the pure water droplet due to the attracted ion-water interaction and hydration effect. The Li⁺-water has the strongest interaction and hydration effect, so LiCl aqueous droplets evaporate the slowest, then NaCl and KCl. Higher salt concentration also enhances the ion-water interaction and hydration effect, and hence corresponds to a slower evaporation. In the last stage of evaporation, only a small amount of water molecules are left in the droplet, leading to a significant increase in ion-water interactions, so that the evaporation becomes slower compared to that in the second stage.

【 授权许可】

CC BY   
© 2013 by the authors; licensee MDPI, Basel, Switzerland.