The analysis of thermal desorption spectra by the Downhill Simplex and the Runge-Kutta methods to solve the Polanyi-Wigner equation has been presented. It is demonstrated for complex thermal desorption spectrum for H adsorbed on a thin gold film at 78 K.
An effective method of computing kinetic parameters (n,V,Ed) of thermal desorption from the experimental thermal desorption curve has been elaborated. So far the Downhill Simplex Method in Multidimensions for minimization and the Runge-Kutta method for solvation the Polanyi-Wigner equation, for any set of kinetic parameters proposed by the Simplex Method, have been applied. The fitting procedure is demonstrated on examples of low coverage thermal desorption spectra for H (D) adsorbed on a thin gold film surface at 78 K.
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