Lattice Model of an Ionic Liquid at an Electrified Interface

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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• Charge Oscillations in Ionic Liquids: A Microscopic Cluster Model
• Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions
• Simulations of ionic liquids confined by metal electrodes using periodic Green functions
• Ionic Size Effects on the Poisson-Boltzmann Theory
• Differential capacitance of ionic liquids according to lattice-gas mean-field model with nearest-neighbor interactions
• Superionic liquids in conducting nanoslits: A variety of phase transitions and ensuing charging behavior