Zirconium–nickel crystals—hydrogen accumulators: Dissolution and penetration of hydrogen atoms in alloys

Abstract

The calculation of the free energy, thermodynamic equilibrium equations, and kinetic equations of the intermetallic compound Zr₂NiH_x has been carried out based on molecular-kinetic concepts. The equilibrium hydrogen concentration depending on the temperature, pressure, and energy parameters has been calculated. The absorption–desorption of hydrogen has been studied, and the possibility of the realization of the hysteresis effect has been revealed. The kinetics of the dissolution and permeability of hydrogen is considered, the time dependence of these values has been found, and conditions for the extremum character of their time dependence have been determined. Relaxation times of the dissolution and permeability of hydrogen into the alloy have been calculated. The calculation results are compared with the experimental data available in the literature.