A Simulation Study of Ion Concentration, Electric Potential and Ion Current within Nation
نویسنده
چکیده
The results of a Monte Carlo molecular simulation of a single pore Nafion are presented, showing the concentration of ions within a pore, the electric potential inside the pore, and an estimate of the ion current as a function of the pore construction with various applied external fields. The ion concentration and electric potential measurements are then compared with existing theoretical models by Berg and Pintauro. The ion current is measured and comparisons are made with several other research groups. Further analysis shows that it is insufficient to treat the sulfonates as a smeared charge rather than as discrete elements. Ion current is presented as a function of the water content and pore radius, which should be proportional to the conductivity as a function of those parameters.
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