Computer simulation of hydrogen thermal desorption by ODE-approximation

摘要

One of the technological challenges for hydrogen materials science (including ITER project) is the currently active search for structural materials with various potential applications that will have predetermined limits of hydrogen permeability. One of the experimental methods is thermal desorption spectrometry (TDS). A hydrogen-saturated sample is degassed under vacuum and monotone heating. The desorption flux is measured by mass spectrometer to determine the character of interactions of hydrogen isotopes with the solid. We are interested in such transfer parameters as the coefficients of diffusion, dissolution, desorption. The paper presents a distributed boundary value problem of thermal desorption and a numerical method for TDS-spectrum simulation, where only integration of a non-linear system of low order (compared with, e.g., the method of lines) ordinary differential equations (ODE) is required. The results of computer simulation are presented. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.