A SIMPLE POTENTIAL MODEL FOR LINEAR SYMMETRIC MOLECULES

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN

TAKASHI KATAYAMA¹  KAZUNARI OHGAKI¹ 

[1] Department of Chemical Engineering, Faculty of Engineering Science, Osaka University

关键词: Physical Property;    Second Virial Coefficient;    Molecular Potential Model;    Lennard Jones Potential;    Linear Symmetric Molecule;   

DOI  :  10.1252/jcej.17.65

来源: Maruzen Company Ltd

【 摘 要 】

References(13)Cited-By(3)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.

【 授权许可】

Unknown