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Numerical Modeling of Room Temperature Ionic Liquids

ORAL

Abstract

We present a mesoscale numerical model for room temperature ionic liquids. The model uses a fluctuating low Mach number formulation based on a thermodynamically consistent formulation. Repulsion effects between the different ions are represented by an excess free energy. We first investigate the structure of the fluid to quantify the interplay between electrostatic forces and repulsion of the different ions. We then investigate the structure of the electric double layer that forms at a solid surface at fixed potential as a function of the applied voltage. Finally, we investigate the effect of composition dependence of the electric permittivity in the presence of an external field.

Presenters

  • Katherine Klymko

    Lawrence Berkeley National Laboratory, CCSE, Lawrence Berkeley National Laboratory

Authors

  • Katherine Klymko

    Lawrence Berkeley National Laboratory, CCSE, Lawrence Berkeley National Laboratory

  • John Bell

    Lawrence Berkeley National Laboratory

  • Alejandro Garcia

    Physics, San Jose State University

  • Sean Carney

    Math, UT Austin

  • Andy Nonaka

    Lawrence Berkeley National Laboratory