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) | ||||||
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Additional Information: | Acknowledgment is made to the Donors of the American Chemical Society Petroleum Research Fund for partial support of this research. | ||||||
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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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