COMPUTER-SIMULATION OF A POLYMER ELECTROLYTE - LITHIUM IODIDE IN AMORPHOUS POLY(ETHYLENE OXIDE)

Systems of lithium iodide dissolved in poly(ethylene oxide), which are prototypes of polymer electrolytes used, for example, in batteries we re studied by means of molecular dynamics simulations. Investigations were aimed at the molecular driving force behind the salt uptake, the mechanism of ion transport, participation of the polymer in ion transp ort, ion clustering, change of polymer properties by the presence of i ons, and ionic conductivity. Particular attention has been given to th e differences in behavior between (previously studied) neutral and ion ic species dissolved in polymers. (C) 1995 American Institute of Physi cs.