Ion-Specific Excluded-Volume Correlations and Solvation Forces

Immanuel Kalcher, Julius C. F. Schulz, and Joachim Dzubiella
Phys. Rev. Lett. 104, 097802 – Published 5 March 2010
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Abstract

Realistic ion-ion and ion-surface potentials from explicit-water simulations are used in implicit-solvent Monte Carlo simulations to study the ionic structure and double-layer forces in a nanometer slab confinement. The highly salt-specific results can be reproduced and rationalized by a simple nonlocal Poisson-Boltzmann theory of a nonadditive primitive model, in which effective hard-sphere radii are obtained from the short-ranged part of the pair potentials. Steric corrections to solvation forces are mainly repulsive and strongly coupled to the ion-surface interactions.

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  • Received 19 November 2009

DOI:https://doi.org/10.1103/PhysRevLett.104.097802

©2010 American Physical Society

Authors & Affiliations

Immanuel Kalcher, Julius C. F. Schulz, and Joachim Dzubiella

  • Physics Department, Technical University Munich, 85748 Garching, Germany

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Issue

Vol. 104, Iss. 9 — 5 March 2010

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