Journal of Physical Chemistry, Vol.100, No.17, 7246-7249, 1996
Predicting Solubilities in Supercritical Fluids
We present a simple treatment of supercritical fluid extraction, including entrainer effects. Solubility predictions are made using the Redlich-Kwong equation of state : parameters for this equation are calculated directly from intermolecular potentials. We have tested our approach in the low-solubility limit by comparing with computer simulations. Good agreement is found for realistic values of the potential parameters describing solute-solvent and solvent-solvent interactions.