Sphericalization of the potential of interaction of anisotropic molecules with spherical particles

The possibility of employing sphericalized intermolecular potentials to describe the interactions between nonpolar anisotropic molecules (CCl4 and benzene) with spherical nonpolar molecules (Ar, Xe, and CH4) has been tested for binary systems having liquid- and gas-like densities. Median and RAM sph...

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Bibliographic Details
Published in:The Journal of chemical physics 1986-09, Vol.85 (5), p.2951-2956
Main Authors: FERNANDEZ-PRINI, R, JAPAS, M. L
Format: Article
Language:English
Subjects:
Chemistry
Exact sciences and technology
General and physical chemistry
Solubility
Solution properties
Solutions
Solvation. Solvent properties
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Summary:The possibility of employing sphericalized intermolecular potentials to describe the interactions between nonpolar anisotropic molecules (CCl4 and benzene) with spherical nonpolar molecules (Ar, Xe, and CH4) has been tested for binary systems having liquid- and gas-like densities. Median and RAM sphericalization procedures have been used and their capacity to account for the experimental values of cross second virial coefficients and Henry’s constants are compared. It is shown that the median sphericalized potentials, which are temperature and density independent, give a fairly good description of the data which is better than that provided by RAM potentials. The possibility of accounting correctly for the change of properties when the relative size of the interacting partners changes (e.g., conformal systems) is noteworthy.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.451005