Third Virial Coefficients of Argon from First Principles
Author(s) -
Alexandr Malijevský,
František Karlický,
René Kalus,
Anatol Malijevský
Publication year - 2007
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/jp071939a
Subject(s) - virial coefficient , ab initio , argon , thermodynamics , range (aeronautics) , virial theorem , work (physics) , experimental data , ab initio quantum chemistry methods , chemistry , materials science , statistical physics , physics , atomic physics , quantum mechanics , mathematics , molecule , statistics , galaxy , composite material
Third virial coefficients of argon have been calculated using a recent ab initio state-of-the-art pair potential and a new ab initio three-body potential. The theoretical results have been compared with experimental data in the range of temperatures from 130 to 673 K. The comparison reveals an excellent agreement between the theoretical and the newest experimental results: For all considered temperatures, differences between the theoretical and the experimental values are within uncertainties of the experimental data. The theoretical third virial coefficients reported in this work are also compared with those obtained using alternative theoretical approaches.
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