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

20 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

Fingerprint

Thermal desorption
Desorption
desorption
Controlled Diffusions
Simulation
simulation
Diffusivity
Model
diffusivity
Binding energy
Activation energy
Local Equilibrium
Binding Energy
Activation Energy
Trap
binding energy
traps
Sufficient
activation energy

All Science Journal Classification (ASJC) codes

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

Cite this

Applicability of the Kissinger's formula and comparison with the McNabb-Foster model in simulation of thermal desorption spectrum. / Wei, Fu Gao; Enomoto, Masato; Tsuzaki, Kaneaki.

In: Computational Materials Science, Vol. 51, No. 1, 01.01.2012, p. 322-330.

Research output: Contribution to journalArticle

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