化学
范德瓦尔斯力
化学物理
过冷
溶剂化
分子
离子
水溶液
氢键
分子动力学
水的性质
溶剂化壳
氢氧化物
热力学
物理化学
计算化学
有机化学
物理
作者
Emiliano Brini,Christopher J. Fennell,Mariví Fernández-Serra,Barbara Hribar-Lee,Miha Lukšič,Ken A. Dill
出处
期刊:Chemical Reviews
[American Chemical Society]
日期:2017-09-26
卷期号:117 (19): 12385-12414
被引量:301
标识
DOI:10.1021/acs.chemrev.7b00259
摘要
How are water's material properties encoded within the structure of the water molecule? This is pertinent to understanding Earth's living systems, its materials, its geochemistry and geophysics, and a broad spectrum of its industrial chemistry. Water has distinctive liquid and solid properties: It is highly cohesive. It has volumetric anomalies-water's solid (ice) floats on its liquid; pressure can melt the solid rather than freezing the liquid; heating can shrink the liquid. It has more solid phases than other materials. Its supercooled liquid has divergent thermodynamic response functions. Its glassy state is neither fragile nor strong. Its component ions-hydroxide and protons-diffuse much faster than other ions. Aqueous solvation of ions or oils entails large entropies and heat capacities. We review how these properties are encoded within water's molecular structure and energies, as understood from theories, simulations, and experiments. Like simpler liquids, water molecules are nearly spherical and interact with each other through van der Waals forces. Unlike simpler liquids, water's orientation-dependent hydrogen bonding leads to open tetrahedral cage-like structuring that contributes to its remarkable volumetric and thermal properties.
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