(334l) Monte Carlo Simulation Of Porous Electrodes

We developed the Monte Carlo simulation technique in the constant voltage ensemble for the systems composed of electrodes and electrolytes. In this ensemble, the voltage between the anode and the cathode is specified as an external field rather than the surface charge density on the electrodes. We applied this technique to the systems with porous electrodes and different sizes of ions. We found that the asymmetry of the ion size causes the asymmetry in the structural, electrostatic, and electro-mechanical properties between the anode side and the cathode side. The effects of these physical properties on the electrical double layer capacitors and the electro-active polymers are discussed.