L. Coniglio et al., MODEL PREDICTION OF SUPERCRITICAL FLUID-LIQUID EQUILIBRIA FOR CARBON-DIOXIDE AND FISH-OIL RELATED-COMPOUNDS, Industrial & engineering chemistry research, 34(7), 1995, pp. 2473-2484
The goal of this work is to provide a purely predictive method for the
computation of phase equilibria of mixtures involving fish oil and su
percritical carbon dioxide. For this purpose, the Huron-Vidal first-or
der (MHV1) and second-order (MHV2) mixing rules have been investigated
in order to combine the Soave-Redlich-Kwong equation of state with di
fferent excess Gibbs energy based models, such as the linear UNIFAC/UN
IQUAC, the modified UNIFAC/UNIQUAC, and the Van Laar models. For the m
ixture b parameter of the equation of state, a linear and a van der Wa
als like quadratic expression have been considered. The approach that
has yielded the most satisfactory results over a wide temperature and
pressure range is the MHV1 mixing rule used together with the modified
UNIFAC model and a quadratic expression for the mixture b parameter w
ith a universal constant for all investigated systems (saturated and p
olyunsaturated free fatty acids/fatty acid methyl or ethyl esters in s
upercritical carbon dioxide). The UNIFAC group interaction parameters
involving carbon dioxide and fish oil related compound groups have bee
n estimated using binary vapor-liquid equilibrium data. For the invest
igated systems, the MHV1 and MHV2 mixing rules were found to give sati
sfactory predictions considering the quality of the experimental data.