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Please use this identifier to cite or link to this item: http://dspace.bits-pilani.ac.in:8080/jspui/handle/123456789/14512
Title: Hydration of ions in two-dimensional water
Authors: Dutta, Sandipan
Keywords: Physics
Hydration
Hydrogen bonds (H bonds)
Water molecules
Issue Date: Oct-2015
Publisher: APS
Abstract: We present a two-dimensional lattice model of water to study the effects of ion hydration on the properties of water. We map the water molecules as lattice particles consisting of a single oxygen atom at the center of a site and two hydrogen atoms on each side. The internal state of the system, such as the dipole moment at a site, is defined with respect to the location of the hydrogen atoms at the site depending on their role in hydrogen bonds (H bonds) being a donor or an acceptor. We study the influence of the charge and the radius of the ion on the insertion energy and on the H bonds in the first and second hydration layers around the ion and in the bulk. In particular we analyze how the competing interactions of the short-ranged H bonds and the long-ranged electrostatics influence the hydration properties. The role of the ion both as a source of the electrostatic interactions as well as a defect is also discussed. Our model also shows the well-known fact that the polarizability of the water molecules destroys the hydrogen bond network and increases the dipole moment of the molecules near the ion.
URI: https://journals.aps.org/pre/abstract/10.1103/PhysRevE.92.042152
http://dspace.bits-pilani.ac.in:8080/jspui/xmlui/handle/123456789/14512
Appears in Collections:Department of Physics

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