Temperature-Dependence of Proton Conductivity in Hydrogen-Bonded Molecular Systems

Abstract

The temperature-dependence of proton electric conductivity in hydrogen-bonded molecular systems with damping effect was studied. The time-dependent velocity of proton and its mobility are determined from the Hamiltonian of a model system. The calculated mobility of (3.57-3.76) ×10 −6 m 2 /Vs for uniform ice is in agreement with the experimental value of (1 − 10) × 10 −2 m 2 /Vs. When the temperature and damping effects of the medium are considered, the mobility is found to depend on the temperature for various electric field values in the system, i.e. the mobility increases initially and reaches a maximum at about 191 K, but decreases subsequently to a minimum at approximately 241 K, and increases again in the range of 150-270 K. This behavior agrees with experimental data of ice.