Abstract
Monte Carlo calculations were carried out to simulate ion diffusion through polymer matrices. A dynamic bond percolation (DBP) model was employed that includes local harmonic motion of covalently bound anions in polyelectrolyte systems. The temperature dependence of cation diffusion was investigated in polyelectrolytes and polymer-salt complexes for 0-100 °C. Systems in which the rate of polymer reorganization is independent of temperature display Arrhenius behavior both above and below the Tg of 35 °C. Systems in which the temperature is coupled to the rate of polymer reorganization display VTF behavior above the Tg and near Arrhenius behavior below the Tg. In all cases, the temperature is coupled to the rate of successful ion jumps. Temperature and Tg seem to have no effect on the ion density at which the cation conductivity reaches a maximum.
Original language | English |
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Pages (from-to) | 249-257 |
Number of pages | 9 |
Journal | Solid State Ionics |
Volume | 147 |
Issue number | 3-4 |
DOIs | |
Publication status | Published - Apr 1 2002 |
Event | 2001 Polymer Electronic Sympoiusm (PES2001) - Noorderwijkerhout, Netherlands Duration: May 14 2001 → May 16 2001 |
Keywords
- Dynamic bond percolation model
- Ion conductivity
- Monte Carlo simulations
- Polyelectrolyte
- Polymer electrolyte
- Temperature dependence
ASJC Scopus subject areas
- Chemistry(all)
- Materials Science(all)
- Condensed Matter Physics