Diffusion in polymer electrolytes and the dynamic percolation model
| Autor: | Wolfgang Dieterich, Abraham Nitzan, Oliver Dürr |
|---|---|
| Rok vydání: | 2002 |
| Předmět: |
Lattice model (finance)
Chemistry Monte Carlo method Ionic bonding Thermodynamics General Chemistry Electrolyte Condensed Matter Physics 540: Chemie Condensed Matter::Soft Condensed Matter Percolation Ionic conductivity Physical chemistry General Materials Science Center of mass Diffusion (business) |
| Zdroj: | Solid State Ionics. 149:125-130 |
| ISSN: | 0167-2738 |
| DOI: | 10.1016/s0167-2738(02)00144-3 |
| Popis: | A semi-microscopic description of ionic transport in polyethylene oxide (PEO)-type electrolytes is presented, which is based on discrete stochastic moves of individual molecular units. Diffusion coefficients for ions and for the center of mass motion of chains are calculated by Monte Carlo simulation as a function of various model parameters, with emphasis on the incorporation of pressure effects. Within an even more coarse-grained description of diffusion in an athermal system of pointlike particles and chains we provide a quantitative verification of the concept of dynamic percolation (DP). |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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