Molecular thermodynamic models for the vapor-liquid equilibrium of nonpolar fluids
Source abstract
Abstract
We propose simple expressions giving the main vapor-liquid properties for 42 nonpolar fluids. These expressions are molecular models based on a perturbative procedure, where the Lennard-Jones (LJ) system is taken as reference, the perturbed expressions being simple polynomial functions of the temperature for a given substance. The molecular parameters used, which are the only input needed in the molecular models, are the two LJ parameters, related to molecular size and the molecular interaction intensity, and the acentric factor, related to the molecular shape. The proposed molecular models are extrapolatable outside the temperature range used in the fit and seem to be easily applicable to other nonpolar fluids.
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Research context
OpenAlex topics: Phase Equilibria and Thermodynamics · Advanced Thermodynamics and Statistical Mechanics · Thermodynamic properties of mixtures
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References (27)
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