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Effect of Hydrogen Bonds on the Dielectric Properties of Interfacial Water
Sleeba Varghese,
Published in American Chemical Society
2019
PMID: 31121091
Volume: 35
   
Issue: 24
Pages: 8159 - 8166
Abstract
The dielectric constant for water is reduced under confinement. Although this phenomenon is well known, the underlying physical mechanism for the reduction is still in debate. In this work, we investigate the effect of the orientation of hydrogen bonds on the dielectric properties of confined water using molecular dynamics simulations. We find a reduced rotational diffusion coefficient for water molecules close to the solid surface. The reduced rotational diffusion arises due to the hindered rotation away from the plane parallel to the channel walls. The suppressed rotation in turn affects the orientational polarization of water, leading to a low value for the dielectric constant at the interface. We attribute the constrained out-of-plane rotation to originate from a higher density of planar hydrogen bonds formed by the interfacial water molecules. © 2019 American Chemical Society.
About the journal
JournalData powered by TypesetLangmuir
PublisherData powered by TypesetAmerican Chemical Society
ISSN07437463
Open AccessYes
Concepts (15)
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    Dielectric properties
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    Diffusion in solids
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    Molecular dynamics
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    Molecular orientation
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    Molecules
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    Phase interfaces
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    Effect of hydrogen
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    HINDERED ROTATIONS
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    INTERFACIAL WATER MOLECULES
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    Molecular dynamics simulations
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    ORIENTATIONAL POLARIZATION
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    OUT-OF-PLANE ROTATION
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    Rotational diffusion
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    ROTATIONAL DIFFUSION COEFFICIENTS
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    Hydrogen bonds