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Unraveling the Mechanism of a Rising Three-Phase Contact Line along a Vertical Surface Using Many-Body Dissipative Particle Dynamics.
Langmuir ( IF 3.7 ) Pub Date : 2020-06-02 , DOI: 10.1021/acs.langmuir.0c01081 Zhen Luo 1 , Shafigh Mehraeen 1
Langmuir ( IF 3.7 ) Pub Date : 2020-06-02 , DOI: 10.1021/acs.langmuir.0c01081 Zhen Luo 1 , Shafigh Mehraeen 1
Affiliation
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We present coarse-grained molecular (many-body dissipative particle) dynamics simulations to unravel the wetting mechanism of spontaneous rise of a liquid thin film along vertical flat and rough surfaces. We show that the displacement of the rising contact line, in single- and double-wall geometry, exhibits a ballistic motion (∼t) followed by a diffusive dynamics (∼
) during the rise of the liquid thin film against gravity. Dynamic contact angle decreases as the contact line transitions from ballistic to diffusive regime. Explicit analysis of the velocity and vorticity profile in the bulk and in the proximity of the contact line suggests an unsteady flow field behind the rising three-phase contact line. Furthermore, our simulation results indicate that contact line dynamics and the flow field behind the contact line are independent of the surface roughness.
中文翻译：
利用多体耗散粒子动力学解开沿垂直表面上升的三相接触线的机理。
我们提出了粗粒分子（多体耗散粒子）动力学模拟，以揭示液体薄膜沿垂直平坦表面和粗糙表面自发上升的润湿机理。我们表明，在单壁和双壁几何形状中，上升的接触线的位移表现出弹道运动（〜t），然后是扩散动力学（〜）液体薄膜在重力作用下上升。随着接触线从弹道过渡到扩散状态，动态接触角减小。对主体中和接触线附近的速度和涡度分布的显式分析表明，上升的三相接触线后面有不稳定的流场。此外，我们的仿真结果表明，接触线动力学和接触线后面的流场与表面粗糙度无关。
更新日期：2020-07-07
) during the rise of the liquid thin film against gravity. Dynamic contact angle decreases as the contact line transitions from ballistic to diffusive regime. Explicit analysis of the velocity and vorticity profile in the bulk and in the proximity of the contact line suggests an unsteady flow field behind the rising three-phase contact line. Furthermore, our simulation results indicate that contact line dynamics and the flow field behind the contact line are independent of the surface roughness.
中文翻译：
利用多体耗散粒子动力学解开沿垂直表面上升的三相接触线的机理。
我们提出了粗粒分子（多体耗散粒子）动力学模拟，以揭示液体薄膜沿垂直平坦表面和粗糙表面自发上升的润湿机理。我们表明，在单壁和双壁几何形状中，上升的接触线的位移表现出弹道运动（〜t），然后是扩散动力学（〜
）液体薄膜在重力作用下上升。随着接触线从弹道过渡到扩散状态，动态接触角减小。对主体中和接触线附近的速度和涡度分布的显式分析表明，上升的三相接触线后面有不稳定的流场。此外，我们的仿真结果表明，接触线动力学和接触线后面的流场与表面粗糙度无关。
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