Samples of the iodide, dissolved in polyethylene oxide, were studied by means of molecular dynamics simulations. Investigations were made of the molecular driving force for salt up-take, the ion transport mechanism, the participation of the polymer in ion transport, ion clustering, changes in polymer properties due to the presence of ions, and ionic conductivity. Particular attention was paid to differences in the behavior of neutral and ionic species, when dissolved in polymers.

F.Muller-Plathe, W.F.Van Gunsteren: Journal of Chemical Physics, 1995, 103[11], 4745-56