Louden Patrick B, Gezelter J Daniel
Department of Chemistry & Biochemistry , University of Notre Dame , 251 Nieuwland Science Hall , Notre Dame , Indiana 46556 , United States.
J Phys Chem Lett. 2018 Jul 5;9(13):3686-3691. doi: 10.1021/acs.jpclett.8b01339. Epub 2018 Jun 22.
The temperature and depth dependence of the shear viscosity (η) of the quasi-liquid layer (QLL) of water on ice-I crystals was determined using simulations of the TIP4P/Ice model. The crystals display either the basal {0001} or prismatic {101̅0} facets, and we find that the QLL viscosity depends on the presented facet, the distance from the solid/liquid interface, and the undercooling temperature. Structural order parameters provide two distinct estimates of the QLL widths, which are found to range from 6.0 to 7.8 Å, and depend on the facet and undercooling temperature. Above 260 K, the viscosity of the vapor-adjacent water layer is significantly less viscous than the solid-adjacent layer and is also lower than the viscosity of liquid water.
利用TIP4P/Ice模型的模拟，确定了冰-I晶体准液层（QLL）的剪切粘度（η）与温度和深度的关系。晶体呈现出基面{0001}或棱柱面{101̅0}晶面，我们发现QLL粘度取决于呈现的晶面、与固/液界面的距离以及过冷温度。结构序参量提供了QLL宽度的两种不同估计值，发现其范围为6.0至7.8 Å，并取决于晶面和过冷温度。在260 K以上，与气相相邻的水层的粘度明显低于与固相相邻的层，并且也低于液态水的粘度。
