Analytical Modeling of Thermodynamic and Transport Anomalies of Water

被引:1
|
作者
Urbic, Tomaz [1 ]
机构
[1] Univ Ljubljana, Fac Chem & Chem Technol, Chair Phys Chem, Vecna Pot 113, SI-1000 Ljubljana, Slovenia
关键词
Water; statistical model; anomalies; transport properties; analytical model; 2-DIMENSIONAL MODEL; STATISTICAL-MECHANICS; SIMULATIONS; PARTICLES;
D O I
10.17344/acsi.2021.7048
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The structures and properties of biomolecules like proteins, nucleic acids, and membranes depend on water. Water is also very important in industry. Overall, water is an unusual substance with more than 70 anomalous properties. The understanding of water is advancing significantly due to the theoretical and computational modeling. There are different kinds of models, models with fine-scale properties and increasing structural detail with increasing computational expense, and simple models, which focus on global properties of water like thermodynamics, phase diagram and are less computationally expensive. Simplified models give a better understanding of water in ways that complement more complex models. Here, we review analytical modelling of properties of water on different levels, the two- and three-dimensional Mercedes- Benz (MB) models of water and experimental water.
引用
收藏
页码:505 / 520
页数:16
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