Thermodynamics in Porous Electrodes: A Monte Carlo Simulation Study

Abstract

Thermodynamic behavior of porous electrodes is qualitatively different from that of planar electrodes when the pore size is comparable to the ion size. We performed Monte Carlo simulation and investigated the thermodynamics behavior of porous electrodes as functions of the pore size, the ion size, and the applied voltage. We found that thermodynamic properties such as surface charge density, ion density, and pressure exerted in the porous electrodes on applying voltage show quite nonlinear behaviors as functions of voltage. The mechanism of the thermodynamic behaviors is explained in terms of the balance between the electrostatic and volume exclusion interactions.