分子动力学
相(物质)
平衡(能力)
直线(几何图形)
材料科学
动力学(音乐)
接触角
纳米技术
化学物理
化学
结晶学
复合材料
物理
计算化学
几何学
生物
数学
有机化学
神经科学
声学
作者
Yusuke Jonosono,Shinichi Tsuda,Takashi Tokumasu,Hiroki Nagashima
出处
期刊:Langmuir
[American Chemical Society]
日期:2024-04-11
标识
DOI:10.1021/acs.langmuir.3c04027
摘要
This study reveals the microscopic mechanical balance at the three-phase contact line (TPCL) of an interfacial nanobubble on a substrate with a wettability pattern using molecular dynamics simulations. The apparent contact angle was compared to that evaluated using Young's equation, in which the interfacial tensions were computed using a mechanical route. The comparison was conducted by changing the wettability of the substrate from hydrophilic to neutral while maintaining a hydrophobic region in the center of the substrate. When the wettability pattern pins the TPCL at the wettability boundary, the contact angle computed by Young's equation is larger than the apparent contact angle because a pinning force exists in the inward direction of the nanobubble. Conversely, on the surfaces where the wettability pattern does not pin the TPCL, the contact angle computed by Young's equation agrees with the apparent contact angle because the pinning force disappears. The distribution of principal stresses around the TPCL, which was visualized for the first time in this study, indicates that large compressive principal stresses exist between the liquid phase and the solid substrate interface, which pin the TPCL at the surface wettability boundary, and that the maximum principal stress occurs in the inward direction of the nanobubbles at the TPCL. The normalized pinning force estimated from the maximum principal stress is equivalent to that measured experimentally.
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