Temperature-dependent surface tension model in many-body dissipative particle dynamics with energy conservation

被引：3
作者：
Cao, Damin [1 ,2 ]
Zhao, Jiayi [3 ]
Zhang, Kaixuan [4 ]
Chen, Shuo [1 ]
机构：
[1] Tongji Univ, Sch Aerosp Engn & Appl Mech, Shanghai 200092, Peoples R China
[2] Shanghai Univ Engn Sci, Sch Air Transportat, Shanghai 201620, Peoples R China
[3] Univ Shanghai Sci & Technol, Shanghai 200093, Peoples R China
[4] Nankai Univ, Sch Med, Tianjin 300071, Peoples R China
来源：
CHEMICAL PHYSICS | 2023年 / 574卷
基金：
中国国家自然科学基金;
关键词：
Many -body dissipative particle dynamics with; energy conservation; Surface tension; Young equation; Thermocapillary; LIQUID-VAPOR INTERFACE; MARTINI FORCE-FIELD; MOLECULAR-DYNAMICS; WATER; SIMULATIONS; THERMODYNAMICS; METHANOL;
D O I：
10.1016/j.chemphys.2023.112020
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
As a hybrid method, many-body dissipative particle dynamics with energy conservation (MDPDe), promises to simulate heat transport process with free surface fluids. However, the temperature-dependent surface tension cannot be modelled accurately in MDPDe so far, which greatly limits its further applications. In the present study, semi-empirical relationships between the attractive coefficient and temperature obtained by mapping with real liquids (i.e., water, ethylene glycol and benzaldehyde) are introduced into MDPDe. The simulation results are validated by comparing with the relevant experimental, theoretical and numerical results, respectively. The improved MDPDe model in the present work opens the door to study various thermocapillary phenomena with free surface fluids at mesoscopic scale.
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页数：8
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