Application of the RISM theory to Lennard-Jones interaction site molecular fluids

Application of the RISM theory to Lennard-Jones interaction site molecular fluids

It seems that reference interaction site model (RISM) theory atom–atom distribution functions have been obtained directly from the RISM equations only for fused hard sphere molecular fluids. RISM distribution functions for Lennard-Jones interaction site fluids are presented. Results presented sugges...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:J. Chem. Phys.; (United States) 1979-02, Vol.70 (4), p.1599-1601
Hauptverfasser: Johnson, Elijah, Hazoumé, Roger Paul
Format: Artikel
Sprache:eng
Schlagworte:
640300 - Atomic, Molecular & Chemical Physics
ATOMIC AND MOLECULAR PHYSICS
DISTRIBUTION FUNCTIONS
FLUIDS
INTERMOLECULAR FORCES
LIQUIDS
MATHEMATICAL MODELS
MECHANICS
STATISTICAL MECHANICS
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:It seems that reference interaction site model (RISM) theory atom–atom distribution functions have been obtained directly from the RISM equations only for fused hard sphere molecular fluids. RISM distribution functions for Lennard-Jones interaction site fluids are presented. Results presented suggest that these distribution functions are as accurate as RISM distribution functions for fused hard sphere molecular fluids.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.437699