Affiliations: TADiP Group, Department of Thermodynamics and Transport Phenomena, Simón Bolívar University, Caracas, Venezuela
Correspondence:
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Corresponding author: Claudio Olivera-Fuentes, TADiP Group, Department of Thermodynamics and Transport Phenomena, Simón Bolívar University, AP89000, Caracas 1080, Venezuela. E-mail:[email protected]
Abstract: A model that relates acentric factors to molecular energies of very small
ensembles is developed. Saturation properties are taken from the literature,
and energies are calculated using tools of Computational Chemistry. For
n-alkanes, the acentric factor is given directly as a linear function of the
saturated liquid and vapor phase energies at the ``omega temperature'' defined
as 70% of the critical temperature. For other fluids, a perturbation
analysis suggests that acentric factor deviations from the behavior of
n-alkanes depend on one additional characteristic parameter. Best results
are obtained by defining this parameter in terms of the compressibility
factors of the saturated phases at that same temperature. The final
correlation reproduces the acentric factors of all fluids tested with
coefficient of determination R2= 0.9857 and average absolute deviation
AAD = 0.0112.
