Electrochemical modeling of hydrogen storage in hydride-forming electrodes

An electrochemical kinetic model (EKM) is developed, describing the electrochemical hydrogen storage in hydride-forming materials under equilibrium conditions. This model is based on first principles of electrochemical reaction kinetics and statistical thermodynamics and describes the complex, multi-stage, electrochemical (de)hydrogenation process. A complete set of equations have been derived, describing the equilibrium hydrogen partial pressure and equilibrium electrode potential as a function of hydrogen content in both solid-solution and two-phase coexistence regions. The EKM has been applied to simulate the isotherms of thin film Pd electrodes of various thicknesses. Good agreement between experiment and theory is found in all cases. Relevant energy and kinetic parameters are obtained from the simulations.