Bulk effects in Thermal Desorption Spectroscopy

被引:7
作者
Castro, FJ [1 ]
Sánchez, AD
Meyer, G
机构
[1] Comis Nacl Energia Atom, Ctr Atom Bariloche, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina
[2] UNC, Inst Balseiro, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina
关键词
D O I
10.1063/1.477261
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In this work we analyze Thermal Desorption Spectroscopy (TDS) experiments of gases considering simultaneously atomic diffusion in the bulk and recombinative reaction on the surface of a solid sample. We perform computer simulations in a three-dimensional cubic lattice, and compare the simulated spectra with numerical results from a simple reaction-diffusion model, and analytical results from models for the fast diffusion and fast reaction regimes. We analyze the effects on the spectra of each relevant parameter: diffusivity, reaction coefficient, heating rate, initial concentration of particles and sample size. We also develop a rate-limiting step identification procedure based on the analysis of peak position as a function of initial concentration. This last procedure applied to the simulations and to experimental TDS spectra produces very good results. (C) 1998 American Institute of Physics. [S0021-9606(98)50939-7].
引用
收藏
页码:6940 / 6946
页数:7
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