The application of transition state theory to gas–surface reactions in Langmuir systems

Pitt, Ian G., Gilbert, Robert G. and Ryan, Keith R. (1995) The application of transition state theory to gas–surface reactions in Langmuir systems. Journal of Chemical Physics, 102 8: 3461-3473. doi:10.1063/1.468583

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Author Pitt, Ian G.
Gilbert, Robert G.
Ryan, Keith R.
Title The application of transition state theory to gas–surface reactions in Langmuir systems
Journal name Journal of Chemical Physics   Check publisher's open access policy
ISSN 0021-9606
Publication date 1995-02
Sub-type Article (original research)
DOI 10.1063/1.468583
Open Access Status File (Publisher version)
Volume 102
Issue 8
Start page 3461
End page 3473
Total pages 13
Place of publication College Park, MD, United States
Publisher American Institute of Physics
Language eng
Abstract Transition state theory (TST) has long been applied to gas-surface reactions for the purpose of characterizing and predicting desorption rate coefficients, but current perceptions of its use exclude TST from meaningful description of the sticking coefficient for partially covered surfaces. This paper re-examines the application of TST to partially covered surfaces, and in particular to Langmuir systems with barrierless adsorption. An analogy is drawn in the present work between barrierless adsorption processes and gas-phase radical-radical recombination reactions that reveals a simple method by which TST can describe kinetics in Langmuir systems. Construction of a model "hard-wall" Hamiltonian that reflects the exclusion of adsorbates from occupied sites enables the kinetics in Langmuir systems to be described by constructing a transition state surface that does not permit adsorption at occupied sites. This method gives analytic expressions for the TST sticking coefficient (and desorption rate coefficient) in two important limiting cases for the gas-surface dynamics, and resolves previous difficulties in the TST description of Langmuir systems.
Keyword Dependent desorption-kinetics
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemistry and Molecular Biosciences
Centre for Nutrition and Food Sciences Publications
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Created: Mon, 07 Mar 2011, 15:55:45 EST