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Non‐Markoffian Theory of Activated Rate Processes II. Thermal Desorption
Author(s) -
Nitzan Abraham,
Carmeli Benny
Publication year - 1982
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.198200065
Subject(s) - chemistry , langevin equation , desorption , action (physics) , space (punctuation) , thermal desorption , inverse , thermal , master equation , rate equation , particle (ecology) , quantum , thermodynamics , classical mechanics , statistical physics , quantum mechanics , physics , kinetics , linguistics , philosophy , geometry , mathematics , oceanography , adsorption , geology
A model for thermal desorption, described by a one dimensional classical generalized Langevin equation (GLE) for the motion of an adatom, is solved by reducing the GLE to a Fokker Planck equation in action space. The escape rate is obtained as the inverse mean first passage time for the particle to achieve a threshold energy (or action). A calculation using parameters corresponding to the desorption of Ar from W is compared with quantum mechanical results for the same model.