ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We have used the interaction site model in order to calculate the thermodynamics of dissolution of simple nonpolar gases in molecular liquids. The calculations were carried out for the liquids benzene and n-alkanes, from butane to heptane, and for inert gases, methane, and ethane as solutes using a first-order perturbation method. It is shown that this procedure is much better than the sphericalization of the anisotropic intermolecular potentials since it explicitly incorporates the details of the structure of the different fluids. The proposed procedure is extremely sensitive to the values used for the intermolecular parameters. This feature coupled to the possible inaccuracies of the simple Lorentz–Berthelot combining rule, is a weakness of the calculation procedure when it is used to predict the behavior of real systems. For this purpose it is recommended that the procedure be used semiempirically adjusting the values of the intermolecular parameters with experimental solubility data.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.459899
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