Пики Термодесорбции Водорода: Моделирование И Интерпретация

Abstract

Various models of hydrogen thermal desorption peaks are analyzed. The dynamics model of the volume-averaged concentration with a continuum parameter allows integrally taking into account the degree of dominance of the limiting factors (diffusion and recombination of atoms into molecules during desorption). An analytical criterion for peaks symmetry is proposed in the context of comparison with the method of decomposing the component spectrum into the sum of Gaussian. Modifications of the Kissinger method for estimating the activation energy of desorption in experiments with several heating rates and procedures for solving the inverse problem of parametric identification of a unimodal peak using only one heating rate are presented. A comparative with a diffusion model with dynamic boundary conditions is performed. It is shown that the cause of local peaks can be not only capture with different binding energies but also the dynamics of interaction of bulk and surface processes, change in the surface structure during heating.