Molecular dynamics simulation of water condensation with nucleus under electromagnetic wave irradiation

被引：7
|
作者：
Zhao, Tuan [1 ]
Yao, Hongzhi [1 ]
Ji, Xiangfei [1 ]
Yang, Xiaoqing [2 ]
Wu, Shiyue [3 ]
机构：
[1] Shaanxi Appl Phys & Chem Res Inst, Xian 710061, Peoples R China
[2] Sichuan Univ, Coll Elect & Informat Engn, Chengdu 610064, Peoples R China
[3] Inst Guizhou Aerosp Measuring & Testing Technol, Guiyang 550009, Peoples R China
来源：
JOURNAL OF MOLECULAR GRAPHICS & MODELLING | 2023年 / 123卷
基金：
中国国家自然科学基金;
关键词：
Condensation; Nucleus; Phase transition; Molecular dynamics simulation; External electric field; AQUEOUS-SOLUTIONS; FIELDS; SULFATE; SURFACE;
D O I：
10.1016/j.jmgm.2023.108513
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
The condensation process of water with different nuclei under electromagnetic wave irradiation was studied by molecular dynamics simulation. It was found that there is a different electric-field effect when the condensation nucleus was a small (NH4)2SO4 cluster than a CaCO3 nucleus. Through the analysis of the hydrogen-bond number, energy change, and dynamic behavior, we found that the effect of external electric field on the condensation process mainly comes from the change of potential energy caused by the dielectric response and there is a competition effect between the dielectric response and the dissolution in the system with (NH4)2SO4.
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页数：9
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