论文标题
冰和水接口处的分子间力：预言，表面冷冻和再融合
Intermolecular forces at ice and water interfaces: premelting, surface freezing and regelation
论文作者
论文摘要
使用Lifshitz理论，我们评估了范德华力在冰和水界面上的作用。结果与来自计算机模拟的测量结构力结合在一起，以开发出预浮装膜的表面自由能的定量模型。该输入是在润湿理论框架内采用的，使我们能够定性地预测准液层厚度与环境条件的函数。我们的结果强调了蒸气压的重要性。冰蒸气界面显示出仅表现出不完整的预言，但是情况可以转移到水饱和以上的完全表面熔化状态。获得的结果还可以评估地下冻结在水蒸气界面上的作用，我们表明，分子间力仅在水不饱和条件下有利于地下冰成核。我们显示在环境压力下的冰层可以解释为毛细管冷冻的过程，而无需调用大量压力熔化的作用。我们对范德华力的结果进行了利用，以便在水的经验点电荷模型中衡量分散相互作用。
Using Lifshitz theory we assess the role of van der Waals forces at interfaces of ice and water. The results are combined with measured structural forces from computer simulations to develop a quantitative model of the surface free energy of premelting films. This input is employed within the framework of wetting theory and allows us to predict qualitatively the behavior of quasi-liquid layer thickness as a function of ambient conditions. Our results emphasizes the significance of vapor pressure. The ice vapor interface is shown to exhibit only incomplete premelting, but the situation can shift to a state of complete surface melting above water saturation. The results obtained serve also to assess the role of subsurface freezing at the water-vapor interface, and we show that intermolecular forces favor subsurface ice nucleation only in conditions of water undersaturation. We show ice regelation at ambient pressure may be explained as a process of capillary freezing, without the need to invoke the action of bulk pressure melting. Our results for van der Waals forces are exploited in order to gauge dispersion interactions in empirical point charge models of water.
