Abstract

The inelastic scattering of hydrogen molecules in well-defined roto-vibrational states, impinging a graphitesurface from sub-thermal up to hyper-thermal collision energies, has been investigated by usinga new Potential Energy Surface, formulated in terms of a recently proposed Improved Lennard Jonesmodel, suitable to describe non-covalent interactions in the full space of the configurations. The collisiondynamics is studied by a semiclassical method. The focus has been on behaviour of molecules initially inlow-medium lying roto-vibrational states, for which, under the assumed conditions, initial vibrationalstate is in general preserved during the collision. For the rotational relaxation, some selectivities in thefinal state formation have been characterized. They are emerging especially at low collision energies,where the scattering is manly driven by the attractive forces controlling the physical adsorption. Therotational and vibrational accommodation coefficients have been evaluated and found to be in agreementwith those reported in literature.

Autore Pugliese

• Rutigliano Maria

Tutti gli autori

• M. Rutigliano; F. Pirani

Titolo volume/Rivista

Chemical physics

Anno di pubblicazione

2016

ISSN

0301-0104

ISBN

Non Disponibile

Numero di citazioni Wos

Nessuna citazione

Ultimo Aggiornamento Citazioni

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Numero di citazioni Scopus

Non Disponibile

Ultimo Aggiornamento Citazioni

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Settori ERC

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Codici ASJC

Non Disponibile