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arXiv · 1712.07228

Lattice Model of an Ionic Liquid at an Electrified Interface

Matheus Girotto·Thiago Colla·Alexandre P. dos Santos·Yan Levin
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Abstract

We study ionic liquids interacting with electrified interfaces. The ionic fluid is modeled as a Coulomb lattice gas. We compare the ionic density profiles calculated using a popular modified Poisson-Boltzmann equation with the explicit Monte Carlo simulations. The modified Poisson-Boltzmann theory fails to capture the structural features of the double layer and is also unable to correctly predict the ionic density at the electrified interface. The lattice Monte Carlo simulations qualitatively capture the coarse-grained structure of the double layer in the continuum. We propose a convolution relation that semiquantitatively relates the ionic density profiles of a continuum ionic liquid and its lattice counterpart near an electrified interface.

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Matheus Girotto, Thiago Colla, Alexandre P. dos Santos, Yan Levin. 2017-12-19. Lattice Model of an Ionic Liquid at an Electrified Interface. https://doi.org/10.1021/acs.jpcb.7b02258

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