JOURNAL OF CHEMICAL ENGINEERING OF JAPAN
Print ISSN : 0021-9592
A SIMPLE POTENTIAL MODEL FOR LINEAR SYMMETRIC MOLECULES
KAZUNARI OHGAKITAKASHI KATAYAMA
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1984 Volume 17 Issue 1 Pages 65-70

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Abstract

A simple molecular model is proposed for prediction of second virial coefficients of linear symmetric molecules. The intermodular potential is substituted by summation of the group-group interactions described by the Lennard-Jones 12-6 potential.
The second virial coefficients of oxygen, carbon dioxide and ethylene predicted in the present study agree with the recommended values of IUPAC within 1% or 1cm3 mol-1 for wide temperature ranges. Furthermore, the prediction method proposed is compared with the intermodular potential model of Lennard-Jones and the corresponding state theory of Tsonopoulos.
The present model is extended to mixtures straightforwardly without any binary parameter. The interaction second virial coefficients predicted by the model are in good agreement with observed data.

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© The Society of Chemical Engineers, Japan
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