Ionic size effects on the Poisson-Boltzmann theory.
| Autor: | Colla T; Instituto de Física, Universidade Federal de Ouro Preto, CEP 35400-000 Ouro Preto, MG, Brazil., Nunes Lopes L; Instituto de Física, Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, CEP 91501-970 Porto Alegre, RS, Brazil., Dos Santos AP; Instituto de Física, Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, CEP 91501-970 Porto Alegre, RS, Brazil. |
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| Jazyk: | angličtina |
| Zdroj: | The Journal of chemical physics [J Chem Phys] 2017 Jul 07; Vol. 147 (1), pp. 014104. |
| DOI: | 10.1063/1.4990737 |
| Abstrakt: | In this paper, we develop a simple theory to study the effects of ionic size on ionic distributions around a charged spherical particle. We include a correction to the regular Poisson-Boltzmann equation in order to take into account the size of ions in a mean-field regime. The results are compared with Monte Carlo simulations and a density functional theory based on the fundamental measure approach and a second-order bulk expansion which accounts for electrostatic correlations. The agreement is very good even for multivalent ions. Our results show that the theory can be applied with very good accuracy in the description of ions with highly effective ionic radii and low concentration, interacting with a colloid or a nanoparticle in an electrolyte solution. |
| Databáze: | MEDLINE |
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