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Title: How Water’s Properties Are Encoded in Its Molecular Structure and Energies

Abstract

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.

Authors:
;  [1]; ;  [2];  [2]; ORCiD logo
  1. Department of Chemistry, Oklahoma State University, Stillwater, Oklahoma 74078, United States
  2. Faculty of Chemistry and Chemical Technology, University of Ljubljana, Večna pot 113, SI-1000 Ljubljana, Slovenia
Publication Date:
Research Org.:
Stony Brook Univ., NY (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1394872
Alternate Identifier(s):
OSTI ID: 1507717
Grant/Contract Number:  
FG02-09ER16052; SC0001137
Resource Type:
Published Article
Journal Name:
Chemical Reviews
Additional Journal Information:
Journal Name: Chemical Reviews Journal Volume: 117 Journal Issue: 19; Journal ID: ISSN 0009-2665
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Brini, Emiliano, Fennell, Christopher J., Fernandez-Serra, Marivi, Hribar-Lee, Barbara, Lukšič, Miha, and Dill, Ken A. How Water’s Properties Are Encoded in Its Molecular Structure and Energies. United States: N. p., 2017. Web. doi:10.1021/acs.chemrev.7b00259.
Brini, Emiliano, Fennell, Christopher J., Fernandez-Serra, Marivi, Hribar-Lee, Barbara, Lukšič, Miha, & Dill, Ken A. How Water’s Properties Are Encoded in Its Molecular Structure and Energies. United States. doi:https://doi.org/10.1021/acs.chemrev.7b00259
Brini, Emiliano, Fennell, Christopher J., Fernandez-Serra, Marivi, Hribar-Lee, Barbara, Lukšič, Miha, and Dill, Ken A. Mon . "How Water’s Properties Are Encoded in Its Molecular Structure and Energies". United States. doi:https://doi.org/10.1021/acs.chemrev.7b00259.
@article{osti_1394872,
title = {How Water’s Properties Are Encoded in Its Molecular Structure and Energies},
author = {Brini, Emiliano and Fennell, Christopher J. and Fernandez-Serra, Marivi and Hribar-Lee, Barbara and Lukšič, Miha and Dill, Ken A.},
abstractNote = {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.},
doi = {10.1021/acs.chemrev.7b00259},
journal = {Chemical Reviews},
number = 19,
volume = 117,
place = {United States},
year = {2017},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: https://doi.org/10.1021/acs.chemrev.7b00259

Citation Metrics:
Cited by: 23 works
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Figures / Tables:

Figure 1. Figure 1.: Water covers 71% of Earth’s surface. Most of it is salt water. Only 2.5% of it is fresh water. And, only 1.2% of that fresh water is in rivers and lakes. The rest of Earth’s fresh water is trapped as ice in polar caps and glaciers (68.8%) ormore » underground (30.0%).« less

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