同济大学学报（自然科学版）2024，Vol.52Issue(3)：437-445,9.DOI:10.11908/j.issn.0253-374x.22257
电场条件下高盐溶液蒸发的分子动力学模拟
Evaporation of High-salt Solution Under Electric Field
摘要
Abstract
Recent studies show that an applied electric field can significantly alter the evaporation process and evaporation rate of pure water.In order to investigate the effect of the applied electric field on the microstructure and evaporation properties of high salt solutions,molecular dynamics simulations(MD)were adopted to simulate pure water and LiCl,KCl and CaCl2 salt solutions in parallel(x-direction)and perpendicular(z-direction)directions to the liquid.Based on the simulation results,the influence of the electric field on the evaporation speed,the orientation of water molecules,hydrogen bonding and hydrated ions was analyzed,and the motion of different ions in the solution under the electric field was detected and compared.The electric field in the x-direction can significantly increase the proportion of free water molecules in the salt solution.When the electric field in the x-direction modulates from 0 to 0.3 v·nm-1,the proportion of free water molecules in LiCl,KCl and CaCl2 solutions augment by 48%,38%and 56%respectively,effectively enhancing the evaporation rate of the high-salt solution.关键词
高盐溶液/溶液蒸发/分子动力学模拟/气液界面电场Key words
saline solution/evaporation/molecular dynamic simulation/gas-liquid interface分类
能源科技引用本文复制引用
吴志根,吴少文,颜子涵,齐孝圣..电场条件下高盐溶液蒸发的分子动力学模拟[J].同济大学学报（自然科学版）,2024,52(3):437-445,9.基金项目
国家重点研发计划(2019YFC1805204) （2019YFC1805204）
