Grabowska Joanna
Gdańsk University of Technology, Faculty of Chemistry, Department of Physical Chemistry, Narutowicza 11/12, 80-233 Gdańsk, Poland.
Phys Chem Chem Phys. 2019 Aug 21;21(33):18043-18047. doi: 10.1039/c9cp03705e.
Molecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability of the formation of ice with the cubic structure. On that basis, it was concluded that the main reason for the increased probability of the formation of cubic ice in solidifying water is the distinctive structure of liquid water.
采用分子动力学来解释新形成的冰晶中立方结构的偏好性。结果表明，在过冷液态水中，通过氢键连接的分子更有可能采取与立方冰特征相似的相对取向。在氢键对中观察到的分子对某些相对取向的偏好性导致形成立方结构冰的概率更高。在此基础上，得出结论：凝固水中立方冰形成概率增加的主要原因是液态水独特的结构。
