Department of Physics, Center for Soft Matter and Biological Physics, and Macromolecules Innovation Institute, Virginia Polytechnic Institute and State University , Blacksburg, Virginia 24061, United States.
Department of Physics and Astronomy, Johns Hopkins University , 3400 North Charles Street, Baltimore, Maryland 21218, United States.
Langmuir. 2016 Aug 9;32(31):7788-95. doi: 10.1021/acs.langmuir.6b02024. Epub 2016 Aug 1.
Molecular dynamics simulations are used to study capillary adhesion from a nanometer scale liquid bridge between two parallel flat solid surfaces. The capillary force, Fcap, and the meniscus shape of the bridge are computed as the separation between the solid surfaces, h, is varied. Macroscopic theory predicts the meniscus shape and the contribution of liquid/vapor interfacial tension to Fcap quite accurately for separations as small as two or three molecular diameters (1-2 nm). However, the total capillary force differs in sign and magnitude from macroscopic theory for h ≲ 5 nm (8-10 diameters) because of molecular layering that is not included in macroscopic theory. For these small separations, the pressure tensor in the fluid becomes anisotropic. The components in the plane of the surface vary smoothly and are consistent with theory based on the macroscopic surface tension. Capillary adhesion is affected by only the perpendicular component, which has strong oscillations as the molecular layering changes.
采用分子动力学模拟方法研究了两平行固体平面间纳米级液桥的毛细粘附。当固体表面间距 h 变化时,计算毛细力 Fcap 和桥的弯月面形状。宏观理论能够相当准确地预测弯月面形状以及液体/蒸气界面张力对 Fcap 的贡献,对于小至两三个分子直径(1-2nm)的间距。然而,由于宏观理论中未包含分子分层,当 h ≲ 5nm(8-10 个直径)时,总毛细力在符号和大小上与宏观理论不同。对于这些小的间距,流体中的压力张量变得各向异性。表面平面内的分量变化平稳,与基于宏观表面张力的理论一致。毛细粘附仅受垂直分量的影响,当分子分层发生变化时,垂直分量会产生强烈的振荡。