4.7 Article

Thermodynamics and structure of supercooled water. II.

期刊

JOURNAL OF MOLECULAR LIQUIDS
卷 367, 期 -, 页码 -

出版社

ELSEVIER
DOI: 10.1016/j.molliq.2022.120508

关键词

Supercooled water; Second critical point; TIP4P; Ice water; Density histogram; Structure order parameters; Delaunay tessellation

资金

  1. Czech Science Foun-dation
  2. Ministry of Education, Youth and Sports of the Czech Republic
  3. [22-03380S]
  4. [e-INFRA CZ LM2018140]

向作者/读者索取更多资源

The thermodynamic and structural properties of TIP4P/ice water have been studied in the vicinity of the expected second critical point, revealing bimodal distribution in density histograms and anomalous behavior in isothermal compressibility, indicating the presence of a critical point.
Thermodynamic and structural properties of TIP4P/ice water have been studied in detail in the region of the expected occurrence of the second critical point. Various structure order parameters along with the Delaunay tessellation and density histogram have been used with a focus on their ability and mutual con-sistency to provide the necessary information. Whereas density histograms clearly show the bimodal dis-tribution corresponding to the coexistence of two metastable density states, most of the standard structural parameters provided only information about the increase in the level of molecular order with lowered temperature. Only the parameter called the local structure index and parameters based on the Delaunay tessellation provided information consistent with the density histogram. The bimodality in these parameters has been connected to the anomalous behavior of the isothermal compressibility which increases in the supercooled region gaining the k-shape form which a sign of the presence of the critical point. In addition, an attempt to link the structures of supercooled water to that of an underlying disor-dered ice is made.(c) 2022 Elsevier B.V. All rights reserved.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据