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.

References in corpus (5)

• The electric double layer has a life of its own
• Simulations of Coulomb systems with slab geometry using an efficient 3d Ewald summation method
• A density functional theory for general hard-core lattice gases
• Phase behaviour and structure of a superionic liquid in nonpolarized nanoconfinement
• Thermal and structural properties of ionic fluids

Cited by in corpus (5)

• 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
• Superionic liquids in conducting nanoslits: A variety of phase transitions and ensuing charging behavior