A stochastic golden-rule treatment for thermal desorption of gases from solid surfaces

Research output: Contribution to journalArticle

Abstract

The thermal desorption rate of a gas molecule from a solid surface has been derived using a stochastic time-dependent perturbation method. In this approach the solid surface is modeled by a fluctuating thermal bath which exerts a random force on the gas molecule. The rate of desorption is derived using a first order time-dependent perturbation method and an ensemble averaging over the distribution of random force. We use a generalized Langevin equation to model the stochastic process. The final operator expression of the rate constant contains two parameters pertaining to the solid surface, i.e., temperature T and the friction kernel γ(t). A simple analytical expression is given when the molecule-surface bond is approximated by a truncated-harmonic potential, and both the high temperature and low temperature limits of the rate constant are given in this approximation. Simplified expression of rate constant is also obtained in the limit of Markovian approximation.

Original languageEnglish (US)
Pages (from-to)4729-4734
Number of pages6
JournalThe Journal of chemical physics
Volume96
Issue number6
StatePublished - 1992

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Thermal desorption
solid surfaces
Gases
desorption
Rate constants
gases
Molecules
molecules
perturbation
Random processes
Temperature
Mathematical operators
stochastic processes
Desorption
approximation
surface temperature
Friction
baths
friction
harmonics

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

A stochastic golden-rule treatment for thermal desorption of gases from solid surfaces. / Zhang, John.

In: The Journal of chemical physics, Vol. 96, No. 6, 1992, p. 4729-4734.

Research output: Contribution to journalArticle

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