分子動力学を用いた動的接触角の評価モデル A Model for Estimating the Dynamic Contact Angle with Molecular Dynamics Simulation

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The microscopic configuration of fluid interface near the wetting or dewetting front (i.e., moving contact line) is of significant interest in relation to many industrial processes. In this paper we report on molecular dynamics (MD) simulations conducted for investigation of the dependence of the microscopic contact angle <I>θ</I> on the speed of contact line relative to the solid surface, <I>ΔV</I>. Our simulations were made for a Couette flow geometry where two Lennard-Jones (LJ) liquids are sheared between two solid walls moving at a speed <I>V</I> in opposite directions. The two liquids are immiscible and have different wall-wetting properties. The liquid configuration remains unchanged with time, since <I>ΔV</I>=<I>V</I> at all the contact lines, for <I>V</I> below a certain critical value. The contact angle <I>θ</I> measured under such steady conditions varies monotonically with <I>ΔV</I>. Above the critical wall speed, however, the flow at the receding contact line, where the more wetting liquid of the two is being replaced by the less wetting one, starts becoming unsteady, as <I>ΔV</I> remains smaller than the critical wall speed. We show that the viscous and pressure forces measured from the MD simulation results can be reproduced by the Stokes flow model of Huh and Scriven (1971) using the MD-predicted value of <I>θ</I> at the given <I>ΔV</I>. It follows that, by the aid of Qian et al.'s formulation (2003) of the stress balance at the moving contact line, and by using the MD-predicted proportionality constant between the total wall-tangential force and <I>ΔV</I>, this model can reproduce the MD-predicted dependence of <I>θ</I> on <I>ΔV</I>. The model predictions, furthermore, give insight into the reason why the contact line flow becomes unsteady above the critical wall speed.

収録刊行物

  • 混相流研究の進展 : 年会講演会論文精選集 = Progress in multiphase flow research

    混相流研究の進展 : 年会講演会論文精選集 = Progress in multiphase flow research (2008), 17-26, 2008-06-15

    日本混相流学会

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各種コード

  • NII論文ID(NAID)
    10021154291
  • NII書誌ID(NCID)
    AA12204080
  • 本文言語コード
    JPN
  • 資料種別
    ART
  • ISSN
    18815804
  • NDL 記事登録ID
    9553769
  • NDL 雑誌分類
    ZM17(科学技術--科学技術一般--力学・応用力学)
  • NDL 請求記号
    Z74-E929
  • データ提供元
    CJP書誌  NDL  J-STAGE 
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