Abstract

Different models of hydrogen thermal desorption peaks have been analyzed. The model of volume-averaged concentration dynamics with a continuum parameter makes it possible to integrally take into consideration the dominance of limiting factors: diffusion and recombination of atoms into desorbing molecules. An analytical symmetry criterion for peaks versus the method of expanding a composed spectrum into a series of Gaussian curves is suggested. Modifications of (i) the Kissinger method to estimate the activation energy of desorption in experiments with several material heating rates and (ii) a procedure for solving the inverse problem of unimodal peak parametrical identification from one heat rate are presented. Comparison with the diffusion model with dynamic boundary conditions has been carried out. It has been shown that local peaks may arise not only because of release of hydrogen atoms with different binding energies captured by volume traps, but also because of interaction between volume and surface processes and heat-induced surface structure modifications. The parameters of deuterium thermal desorption from ISO-880U graphite have been estimated.

中文翻译：

---

氢热解吸峰：模拟与解释

摘要

已经分析了氢热脱附峰的不同模型。具有连续参数的体积平均浓度动力学模型使得有可能整体考虑限制因素的主导地位：原子扩散和重组成解吸分子。提出了一种相对于将谱图扩展为一系列高斯曲线的方法的峰解析对称性准则。提出了（i）用几种材料加热速率估算实验中解吸活化能的Kissinger方法的改进方法，以及（ii）从一种加热速率解决单峰峰参数识别反问题的程序。与具有动态边界条件的扩散模型进行了比较。已经显示出局部峰可能不仅是由于释放具有被体积陷阱捕获的具有不同结合能的氢原子，而且还由于体积和表面过程之间的相互作用以及热诱导的表面结构改性而出现。估算了ISO-880U石墨的氘热脱附参数。