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Ion Solvation in Liquid Mixtures: Effects of Solvent Reorganization

Nakamura, Issei and Shi, An-Chang and Wang, Zhen-Gang (2012) Ion Solvation in Liquid Mixtures: Effects of Solvent Reorganization. Physical Review Letters, 109 (25). Art. No. 257802. ISSN 0031-9007. doi:10.1103/PhysRevLett.109.257802.

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Using field-theoretic techniques, we study the solvation of salt ions in liquid mixtures, accounting for the permanent and induced dipole moments, as well as the molecular volume of the species. With no adjustable parameters, we predict solvation energies in both single-component liquids and binary liquid mixtures that are in excellent agreement with experimental data. Our study shows that the solvation energy of an ion is largely determined by the local response of the permanent and induced dipoles, as well as the local solvent composition in the case of mixtures, and does not simply correlate with the bulk dielectric constant. In particular, we show that, in a binary mixture, it is possible for the component with the lower bulk dielectric constant but larger molecular polarizability to be enriched near the ion.

Item Type:Article
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URLURL TypeDescription
Nakamura, Issei0000-0002-2701-6913
Wang, Zhen-Gang0000-0002-3361-6114
Additional Information:© 2012 American Physical Society. Received 26 July 2012; published 20 December 2012. This research has been supported by the National Science Foundation, Grants No. CBET-0965812 and No. CHE-1040558, and by the Natural Sciences and Engineering Research Council of Canada (NSERC).
Funding AgencyGrant Number
Natural Sciences and Engineering Research Council of Canada (NSERC)UNSPECIFIED
Issue or Number:25
Classification Code:PACS: 77.84.Nh, 31.15.xr, 31.70.Dk, 78.20.Ci
Record Number:CaltechAUTHORS:20130204-114214911
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:36760
Deposited By: Jason Perez
Deposited On:04 Feb 2013 21:17
Last Modified:09 Nov 2021 23:24

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