The formation and dynamics of proton wires in channel environments

By virtue of an accurate interaction model, the equilibrium and dynamical p roperties of an excess proton in aqueous systems are studied, in which the water and excess proton are confined to hydrophobic cylindrical channels. S olvation structures of the excess proton and its mobility along the channel are considered as a function of the channel radius. It is found that when the aqueous proton systems are sufficiently constricted there is a substant ial increase in the diffusion of the excess proton charge accompanied by a decrease in the diffusion of water molecules along the channel. Such system s present clear evidence for the possible existence of "proton wires".