Literature DB >> 20367012

Ion-specific excluded-volume correlations and solvation forces.

Immanuel Kalcher1, Julius C F Schulz, Joachim Dzubiella.   

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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Year:  2010        PMID: 20367012     DOI: 10.1103/PhysRevLett.104.097802

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes II: size effects on ionic distributions and diffusion-reaction rates.

Authors:  Benzhuo Lu; Y C Zhou
Journal:  Biophys J       Date:  2011-05-18       Impact factor: 4.033

2.  Mass Action in Ionic Solutions.

Authors:  Bob Eisenberg
Journal:  Chem Phys Lett       Date:  2011-07-26       Impact factor: 2.328

  2 in total

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