Liu Yawei, Zhang Xianren
State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China.
J Chem Phys. 2014 Oct 7;141(13):134702. doi: 10.1063/1.4896937.
In this paper, we apply the molecular dynamics simulation method to study the stability of surface nanobubbles in both pure fluids and gas-liquid mixtures. First, we demonstrate with molecular simulations, for the first time, that surface nanobubbles can be stabilized in superheated or gas supersaturated liquid by the contact line pinning caused by the surface heterogeneity. Then, a unified mechanism for nanobubble stability is put forward here that stabilizing nanobubbles require both the contact line pinning and supersaturation. In the mechanism, the supersaturation refers to superheating for pure fluids and gas supersaturation or superheating for the gas-liquid mixtures, both of which exert the same effect on nanobubble stability. As the level of supersaturation increases, we found a Wenzel or Cassie wetting state for undersaturated and saturated fluids, stable nanobubbles at moderate supersaturation with decreasing curvature radius and contact angle, and finally the liquid-to-vapor phase transition at high supersaturation.
在本文中,我们应用分子动力学模拟方法来研究纯流体和气液混合物中表面纳米气泡的稳定性。首先,我们通过分子模拟首次证明,表面纳米气泡可以通过表面不均匀性引起的接触线钉扎作用在过热或气体过饱和液体中得以稳定。然后,本文提出了一种纳米气泡稳定性的统一机制,即稳定纳米气泡既需要接触线钉扎又需要过饱和度。在该机制中,过饱和度对于纯流体而言指过热,对于气液混合物而言指气体过饱和或过热,二者对纳米气泡稳定性的作用相同。随着过饱和度水平的增加,我们发现对于欠饱和和饱和流体存在文策尔或卡西接触状态,在中等过饱和度下有稳定的纳米气泡,其曲率半径和接触角减小,最终在高过饱和度下发生液-气相转变。