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Rotational Inelastic Scattering of H2 and O2 Molecules from Graphite

Conference Paper
Publication Date:
2020
abstract:
State-to-state Molecular Dynamics simulations have been performed,in a wide range of temperatures and collision energies, in conjunction with new Poten-tial Energy Surfaces formulated in terms of the Improved Lennard-Jones model. Suchsimulations have been exploited to investigate the scattering of H2(and its isotopologuemolecules, D2and HD) and O2 with graphite. Impinging molecules are considered intheir ground and excited roto-vibrational levels. Selectivity and peculiarities have beenhighlighted for the scattered molecules which are of crucial importance for the rational-ization of phenomena occurring at the gas-surface interfaces and of interest in astro-chemical kinetics
Iris type:
04.01 Contributo in Atti di convegno
Keywords:
Inelastic scattering; Gas-surface interaction; Molecular Dynamics simulation; Roto-Vibrational Distributions
List of contributors:
Rutigliano, Maria
Authors of the University:
RUTIGLIANO MARIA
Handle:
https://iris.cnr.it/handle/20.500.14243/379754
Book title:
Rendiconti Accademia Nazionale delle Scienze detta dei XL Memorie e Rendiconti di Chimica, Fisica, Matematica e Scienze Naturali
Published in:
RENDICONTI - ACCADEMIA NAZIONALE DELLE SCIENZE DETTA DEI XL. MEMORIE DI SCIENZE FISICHE E NATURALI
Journal
  • Overview

Overview

URL

https://media.accademiaxl.it/memorie/S6-VI-F1-2020/RUTIGLIANO69.pdf
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