MONTE CARLO SIMULATIONS ON PROTON TRANSPORT IN POLYMER ELECTROLYTE MEMBRANES

Monte Carlo simulations on proton transport in polymer electrolyte membranes were studied. Proton transport is controlled by both segmental motion of the polymer chains and hoping of protons. Effects of proton number, doping degree and so on were discussed by means of a new model. With the increasing of proton concentration, number of proton transport increases at first and then decreases after a critical value. Number of proton transport also increases with increasing length of link segments, chain number, and total segmental concentration. With increasing rearrange time, number of proton hopping decreases a little. Additionally, with increasing available lodged proton concentration, number of proton transport approach an equilibrium value after increasing first. The results were fairly accorded with experimental results reported in literatures.