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- W3093792016 abstract "Size and charge correlations in spherical electric double layers are investigated through Monte Carlo simulations and density functional theory, through a solvent primitive model representation. A fully asymmetric mixed electrolyte is used for the small ions, whereas the solvent, apart from being a continuum dielectric, is also treated as an individual component. A partially perturbative density functional theory is adopted here, and for comparison, a standard canonical ensemble Monte Carlo simulation is used. The hard-sphere free energy is treated within a weighted density approach and the residual ionic contribution is estimated through perturbation around the uniform density. The results from both methods corroborate each other quantitatively over a wide range of physical parameters. The importance of structural correlations is envisaged through the size and charge asymmetry of the supporting electrolytes that includes the solvent as a component." @default.
- W3093792016 created "2020-10-29" @default.
- W3093792016 creator A5007126550 @default.
- W3093792016 date "2020-01-01" @default.
- W3093792016 modified "2023-10-04" @default.
- W3093792016 title "Size and charge correlations in spherical electric double layers: a case study with fully asymmetric mixed electrolytes within the solvent primitive model" @default.
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- W3093792016 doi "https://doi.org/10.1039/d0ra06145j" @default.
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