Abstract
In this paper we present a computer simulation study of ionic conductivity in solid polymeric electrolytes. The multiphase nature of the material is taken into account. The polymer is represented by a regular lattice whose sites represent either crystalline or amorphous regions with the charge carrier performing a random walk. Different waiting times are assigned to sites corresponding to the different phases. A random walk (RW) is used to calculate the conductivity through the Nernst-Einstein relation. Our walk algorithm takes into account the reorganization of the different phases over time scales comparable to time scales for the conduction process. This is a characteristic feature of the polymer network. The qualitative nature of the variation of conductivity with salt concentration agrees with the experimental values for PEO-NH4I and PEO-NH4SCN. The average jump distance estimated from our work is consistent with the reported bond lengths for such polymers.
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Bhattacharyya, A.J., Middya, T.R. & Tarafdar, S. A computer simulation study of ionic conductivity in polymer electrolytes. Pramana - J Phys 50, 205–212 (1998). https://doi.org/10.1007/BF02847170
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DOI: https://doi.org/10.1007/BF02847170