Molecular dynamics simulation on wetting behaviors of n-octane and water droplets on polytetrafluoroethylene surfaces

被引：13

作者：

Zhao, Jing ^{[1
]}

Wang, Baohe ^{[2
]}

Pan, Yanqiu ^{[2
]}

Wang, Wei ^{[1
]}

Zhao, Caichen ^{[1
]}

机构：

[1] Dalian Univ Technol, Dept Chem Machinery & Safety Engn, Dalian 116024, Peoples R China

[2] Dalian Univ Technol, Dept Chem Engn, Dalian 116024, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2021年 / 785卷

关键词：

Wetting behavior; Contact angle; Transection length; Phase area fraction; Roughness factor; OIL/WATER SEPARATION; POLYMER; EVAPORATION;

D O I：

10.1016/j.cplett.2021.139161

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：

Wetting behaviors of n-octane, water and their mixture nanodroplets on smooth and rough polytetrafluo-ethylene substrates were investigated by molecular dynamics simulation. Results showed that wetting behaviors of two pure droplets differed significantly on the smooth surface with equilibrium contact angles being about 20 degrees for n-octane and 92 degrees for water. On the fence-type rough surface, the n-octane droplet presented in the Wenzel state and the water droplet was in the Cassie state at 0.33 of phase area fraction and 3.67 of roughness factor. The rough surface specially constructed in this work could realize a preliminary separation of the n-octane-water mixture.

引用

页数：8

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