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Multiscale Modeling of Thin Liquid Films

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Multiscale Materials Modeling for Nanomechanics

Part of the book series: Springer Series in Materials Science ((SSMATERIALS,volume 245))

Abstract

Thin liquid films are ubiquitous in natural phenomena including frost heave, foams and emulsions, and cornea of human eyes, as well as in industrial processes such as phase change heat transfer, gas adsorption, chemical and food processing, etc. The stability of thin liquid films is important in these processes since the rupture of the thin films can lead to dramatic changes in their desired properties. In this study, a multiscale modeling approach that integrates molecular dynamics simulations and continuum-level modeling is introduced to investigate the effect of nanostructures and electrostatic interactions on meniscus shape and disjoining pressure for thin liquid films. The theoretical model is developed based on the minimization of free energy, the Derjaguin approximation, and the disjoining pressure theory for flat surfaces, and is verified by using the molecular dynamics (MD) simulations for a water-gold and a water-alumina system with both triangular and square nanostructures of varying depth and film thickness. For all cases simulated, disjoining pressure increases with nanostructure depth. The wave amplitude of the meniscus increases monotonically with increasing nanostructure depth and decreasing thin film thickness. The results also show that the electrostatic interactions enhance the disjoining pressure, thereby making the meniscus more conformal to the nanostructured surfaces.

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Authors and Affiliations

  1. Department of Mechanical Engineering and Mechanics, Drexel University, Philadelphia, PA, 19104, USA

    Han Hu & Ying Sun

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  1. Han Hu
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Correspondence to Ying Sun .

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Editors and Affiliations

  1. Drexel University, Philadelphia, Pennsylvania, USA

    Christopher R. Weinberger

  2. Drexel University, Philadelphia, Pennsylvania, USA

    Garritt J. Tucker

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Hu, H., Sun, Y. (2016). Multiscale Modeling of Thin Liquid Films. In: Weinberger, C., Tucker, G. (eds) Multiscale Materials Modeling for Nanomechanics. Springer Series in Materials Science, vol 245. Springer, Cham. https://doi.org/10.1007/978-3-319-33480-6_17

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