Peng-Robinson Equation of State Model for Polycyclic Aromatic Hydrocarbons and Long-Chain Hydrocarbons Solubilities in Supercritical Fluids. Correlations Based on Solute Molecular Properties
Por:
Peck-Schrage, Santiago G. H., Bazua-Rueda, Enrique R.
Publicada:
1 nov 2018
Resumen:
The Peng-Robinson equation of state (EOS) with the classical van der
Waals quadratic mixing rules is used in this study to calculate the
solid solubilities of polycyclic aromatic and long chained hydrocarbons
in supercritical carbon dioxide, ethane, and ethylene. The effect of the
binary interaction parameters k(ij) (for parameter a) and l(ij) (for
parameter b) in the van der Waals mixing rules, on the pressure
dependence of the solute solubility in the supercritical fluid is
examined. The addition of a third parameter, lambda(2), that modifies
the pure component covolume parameter b of the solute, significantly
enhanced the ability of the EOS to fit the experimental data. Reasonable
optimally fitted binary interaction parameters k(ij) and l(ij) and pure
component parameter lambda(2) were obtained. The EOS parameters were
correlated with molecular properties and can be used as estimates for
predicting solubilities when experimental data is missing. A phase
stability test is proposed to guarantee that the stable root is always
chosen in each case, when the solubility problem presents multiple
solutions.
Filiaciones:
Peck-Schrage, Santiago G. H.:
Univ Nacl Autonoma Mexico, Fac Quim, Dept Ingn Quim, Edificio E,Ciudad Univ, Mexico City, DF, Mexico
Bazua-Rueda, Enrique R.:
Univ Nacl Autonoma Mexico, Fac Quim, Dept Ingn Quim, Edificio E,Ciudad Univ, Mexico City, DF, Mexico
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