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Continuous Self Energy of Ions at the Dielectric Interface

Wang, Rui and Wang, Zhen-Gang (2013) Continuous Self Energy of Ions at the Dielectric Interface. . (Submitted) https://resolver.caltech.edu/CaltechAUTHORS:20131112-092536567

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Abstract

We present a simple, unified theory for the self-energy of an ion near a dielectric interface. Our theory accounts for both the short-range (solvation) and long-range (image force) electrostatic forces, charge polarization induced by these forces, and the cavity energy. In contrast to previous models, our self energy is continuous across the interface and thus applicable to both the water and air (oil) sides of the interface. With no fitting parameters, we predict the specific ion effect on the interfacial affinity of halogen anions at the water/air interface, and the strong adsorption of hydrophobic ions at the water/oil interface, in agreement with experiments and atomistic simulations.


Item Type:Report or Paper (Discussion Paper)
Related URLs:
URLURL TypeDescription
http://arxiv.org/abs/1310.8274arXivDiscussion Paper
ORCID:
AuthorORCID
Wang, Zhen-Gang0000-0002-3361-6114
Additional Information:Acknowledgment is made to the Donors of the American Chemical Society Petroleum Research Fund for partial support of this research.
Funders:
Funding AgencyGrant Number
American Chemical Society Petroleum Research FundUNSPECIFIED
Classification Code:PACS: 82.45.Gj, 61.20.Qg, 05.20.-y, 68.03.Cd
Record Number:CaltechAUTHORS:20131112-092536567
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20131112-092536567
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:42372
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:12 Nov 2013 17:33
Last Modified:03 Oct 2019 05:57

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