To continue the series of theoretical studies on proton transfer reactions in associated H-bond complexes, and to acquire fundamental information on proton transfer reactions in PAFC, dynamics and mechanisms of structural diffusion processes in H3PO4 will be studied. The dynamics of an excess proton and proton defects in hydrated H3PO4 clusters and at the -CF2SO3H group will be investigated. Special attentions will be focused on the properties of the intermediate states and the dynamics of elementary reactions, as well as the methods to improve the kinetics of proton transfer reactions in PAFC
