Applicability of the Kissinger's formula and comparison with the McNabb-Foster model in simulation of thermal desorption spectrum

Fu Gao Wei, Masato Enomoto, Kaneaki Tsuzaki

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

The Kissinger's formula has been analyzed theoretically and numerically to be applicable in simulation of not only the detrapping-controlled thermal desorption but also the diffusion-controlled thermal desorption provided that a sufficient pre-exposure before thermal desorption is carried out in the diffusion-controlled desorption. The desorption activation energy or the binding energy can be evaluated by a single thermal desorption spectrum from a single type of trap site. In the case of detrapping-controlled desorption the constant parameter A in the Kissinger's formula approaches the pre-exponential factor of detrap parameter, p0, in the McNabb-Foster model as specimen size becomes smaller. In the case of diffusion-controlled desorption where local equilibrium may be maintained and an effective diffusivity can be expressed, the A value changes according to A = α2D0 where D 0 is the pre-exponential factor of effective diffusivity and α is a geometrical parameter of specimen.

Original languageEnglish
Pages (from-to)322-330
Number of pages9
JournalComputational Materials Science
Volume51
Issue number1
DOIs
Publication statusPublished - Jan 1 2012
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Chemistry(all)
  • Computer Science(all)
  • Physics and Astronomy(all)
  • Computational Mathematics
  • Mechanics of Materials

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