Molecular interactions in the heavy rare gases

Molecular interactions in the heavy rare gases are studied by use of the Kihara core-model intermolecular potential. From second virial and viscosity coefficient data a gas-phase pair-potential function is constructed. This is applied to the calculation of the cohesive energy and lattice constant of...

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Detalles Bibliográficos
Publicado: 1965
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_03669033_v40_n_p97_Rossi
http://hdl.handle.net/20.500.12110/paper_03669033_v40_n_p97_Rossi
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_03669033_v40_n_p97_Rossi
record_format dspace
spelling paper:paper_03669033_v40_n_p97_Rossi2023-06-08T15:36:02Z Molecular interactions in the heavy rare gases Molecular interactions in the heavy rare gases are studied by use of the Kihara core-model intermolecular potential. From second virial and viscosity coefficient data a gas-phase pair-potential function is constructed. This is applied to the calculation of the cohesive energy and lattice constant of solid argon, krypton and xenon. Zero-point energy effect and non-additivity of the pair potential are considered. Three-body effect is evaluated using Kihara's theory of dispersion forces. Similar calculations have also been made using a Lennard-Jones potential. Both the second virial coefficient data and the solid state properties are significantly better described by the new potential. Stability of the solid structures are correctly predicted for krypton and xenon. Results for viscosity are not, as yet, conclusive. Applying a simple relationship previously derived, the Kihara potential used here is still a two independent parameter potential function. The value of the coefficient of London forces is calculated from the new potential parameters. 1965 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_03669033_v40_n_p97_Rossi http://hdl.handle.net/20.500.12110/paper_03669033_v40_n_p97_Rossi
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description Molecular interactions in the heavy rare gases are studied by use of the Kihara core-model intermolecular potential. From second virial and viscosity coefficient data a gas-phase pair-potential function is constructed. This is applied to the calculation of the cohesive energy and lattice constant of solid argon, krypton and xenon. Zero-point energy effect and non-additivity of the pair potential are considered. Three-body effect is evaluated using Kihara's theory of dispersion forces. Similar calculations have also been made using a Lennard-Jones potential. Both the second virial coefficient data and the solid state properties are significantly better described by the new potential. Stability of the solid structures are correctly predicted for krypton and xenon. Results for viscosity are not, as yet, conclusive. Applying a simple relationship previously derived, the Kihara potential used here is still a two independent parameter potential function. The value of the coefficient of London forces is calculated from the new potential parameters.
title Molecular interactions in the heavy rare gases
spellingShingle Molecular interactions in the heavy rare gases
title_short Molecular interactions in the heavy rare gases
title_full Molecular interactions in the heavy rare gases
title_fullStr Molecular interactions in the heavy rare gases
title_full_unstemmed Molecular interactions in the heavy rare gases
title_sort molecular interactions in the heavy rare gases
publishDate 1965
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_03669033_v40_n_p97_Rossi
http://hdl.handle.net/20.500.12110/paper_03669033_v40_n_p97_Rossi
_version_ 1768544552042364928

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