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Collision-induced absorption in Ar-Xe: a comparative study of empirical and ab initio interaction potentials and electric dipole moments
Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap.ORCID-id: 0000-0002-7629-0169
Department of Engineering Mathematics and Physics, Faculty of Engineering, Cairo University, Giza 12211, Egypt.
2022 (engelsk)Inngår i: Journal of Quantitative Spectroscopy and Radiative Transfer, ISSN 0022-4073, E-ISSN 1879-1352, Vol. 292, artikkel-id 108362Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Empirical Barker-Fisher-Watts and modified Tang-Toennies potential energy curves are obtained through fit to experimental vibrational transition energies for argon–argon, xenon–xenon, and argon–xenon pairs. The potentials are tested against experimental thermophysical and transport properties, and agreement is observed. Also, an interaction-induced electric dipole moment curve for the argon–xenon pair is determined through a fit to experimental spectral moments for collision-induced absorption. The argon–xenon potentials and dipole are tested in a complete quantum dynamical calculation of the collision-induced absorption profiles, which can be compared with a laboratory measurement. This provides further analysis of the accuracy of the empirical argon–xenon data, as calculations of absorption profiles are highly sensitive to the input of molecular data.

sted, utgiver, år, opplag, sider
Elsevier, 2022. Vol. 292, artikkel-id 108362
Emneord [en]
Interaction potential, Electric dipole moment, Collision-induced absorption, Noble gas mixture, Van der Waals dimers, transport properties
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URN: urn:nbn:se:ltu:diva-92865DOI: 10.1016/j.jqsrt.2022.108362ISI: 000862275300011Scopus ID: 2-s2.0-85138036156OAI: oai:DiVA.org:ltu-92865DiVA, id: diva2:1694160
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Validerad;2022;Nivå 2;2022-09-15 (hanlid)

Tilgjengelig fra: 2022-09-08 Laget: 2022-09-08 Sist oppdatert: 2025-10-21bibliografisk kontrollert

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