Interference effects between ion induced solvent polarisations in Liquid water
Abstract
We calculate the effective force between two oppositely charged and similarly charged ions fixed in water as a function of separation distance R. At short separations, R less than 1 nm, the effective force is vastly different from the dependence advocated by the screened Coulomb force law (SCFL); being the static dielectric constant of the medium. We also find an interesting asymmetry in the force between +ve and -ve ions. This breakdown of SCFL is shown to be due to the persistent interference between the polarizations created by the two charges, in a manner similar to the vortex-antivortex pair formation in XY model Hamiltonian. The distance dependence of dielectric constants, (R) extracted from our simulation exhibit interesting features and can be used in future modelling.
Cite
@article{arxiv.1901.06159,
title = {Interference effects between ion induced solvent polarisations in Liquid water},
author = {Puja Banerjee and Biman Bagchi},
journal= {arXiv preprint arXiv:1901.06159},
year = {2019}
}
Comments
23 pages, 7 figures