The efftxt of energy ewhangr on the dynamrcs of the chemisorphon of X2 on Pt(lf 1) is studied withm a LEPS poten-t~4 quauchssicat trajecrorles treatment. The Elnstem model IS assumed for the solid. The rigidrly of the surfaces LS shown to bs an axcprable appro\hnrruon
A quasi-classical trajectory study of molecular desorption: Cl+H…surface→HCl+surface
✍ Scribed by Shlomo Ron; Michael Baer
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 383 KB
- Volume
- 146
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
This paper describes a quasiclassical trajectory study of a molecular desorption process between a gaseous chlorine atom and an adsorbed hydrogen atom on a corrugated surface. Opacity functions, vibrational and rotational energy distributions and integral cross sections were calculated for the energy range 0.2 <E< 1.9 eV. The results were found to be significantly different from those obtained in gas-phase atom-molecule interactions but similar to those obtained for gas-phase ion-molecule interactions.
📜 SIMILAR VOLUMES
The generalized Langevin equation (GLE) formalism is used to study the dynamics of CO2 desorption from a Pt( 111) surface. Our trajectory calculations indicate a non-statistical channeling of the CO+0 reaction exothermicity into the various internal energy modes of the desorbed CO2 This conclusion
We examine the claim of Kwong, De Leon and Hailer that energy disposal in the P&catalyzed oxidation of CO is non-statistical. We find that their main arguments do not support that claim. As an interpretation of their trajectory study of CO2 desorption, Kwong, De Leon and Haller (KDH) propose a "non
## Abstract The effects of reaction barrier height and initial rotational excitation of the reactants on the overall rate of H atom exchange between atomic chlorine and HCl (__v__ = 0) and on the 0 → 1 vibrational excitation of HCl via reactive and nonreactive collisions have been investigated usin
RotAtional. vibrational and OllnsIationaI Boltzmann distributions of 12 desorbing from LiF(OOI) were measured using Isser-induced fluorescence. The 12 rotatioml temperature is lovrer than the surface temperature (Ts$ at Ts > 300 K while the >ibrationf and translational temperatures sre =Ts\_ An uppe