Numerical Simulation of the Cyclic Voltammogram of Polyacetylene

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The measured cyclic voltammogram of a polyacetylene‐coated electrode bathed in an electrolyte solution was simulated numerically for various scan rates. The model used accounts for a modified Butler‐Volmer‐type heterogeneous kinetics at the electrode surface including a lateral interaction term which effects the observed hysteresis behavior. Within the polymer an electron flux obeying Ohm's law as well as electrolyte diffusion and migration is considered and Poisson's equation holds for electroneutrality. Donnan partition kinetics describes the flux and potential at the interface between the polymer and diffusion layer. Electrolyte diffusion is considered in the diffusion layer.