Effect of sodium chloride adsorption on the surface premelting of ice
Effect of sodium chloride adsorption on the surface premelting of ice
复制标题
氯化钠吸附对冰表面预熔的影响
DOI：
10.1039/d2cp02277j
复制
发表时间：
2022
影响因子：
3.3
通讯作者：
Donadio, Davide
中科院分区：
文献类型：
--
作者：
Berrens, Margaret L.;Bononi, Fernanda C.;Donadio, Davide
我们通过分子动力学模拟表征了在氯化钠（Na+/Cl−）离子存在下两个低指数冰表面的准液体层（QLL）的结构特性。我们发现，高表面密度的Na+/Cl−对的存在改变了表面熔化行为，从逐步熔化到逐渐熔化。离子的存在导致气-冰界面厚度的整体增加和无序化，导致气-冰界面低温粗化转变。QLL的局部分子结构类似于液态水的分子结构，并且由于Na+/Cl−对的存在，减弱了基柱表面和原生柱表面之间的差异。这些变化改变了海水冰表面不同方面的晶体生长速率和溶剂化环境，对光散射和环境化学反应有潜在的影响。
We characterise the structural properties of the quasi-liquid layer (QLL) at two low-index ice surfaces in the presence of sodium chloride (Na+/Cl−) ions by molecular dynamics simulations. We find that the presence of a high surface density of Na+/Cl− pairs changes the surface melting behaviour from step-wise to gradual melting. The ions lead to an overall increase of the thickness and the disorder of the QLL, and to a low-temperature roughening transition of the air–ice interface. The local molecular structure of the QLL is similar to that of liquid water, and the differences between the basal and primary prismatic surface are attenuated by the presence of Na+/Cl− pairs. These changes modify the crystal growth rates of different facets and the solvation environment at the surface of sea-water ice with a potential impact on light scattering and environmental chemical reactions.