In this paper, a purely predictive model for the phase equilibria computation of mixtures involving
fatty acid esters (FAE) and supercritical carbon dioxide is proposed. In a first step, the phase
equilibria modeling of FAE/CO2 binary systems were performed using the Peng−Robinson
equation of state. To obtain a purely predictive model, the critical properties (T
c, P
c) and the
acentric factor (ω) of the FAE were estimated with specific correlations. Moreover, the group
contribution method developed by Abdoul et al., which allows the prediction of binary interaction
parameters (k
ij
), was extended to ester compounds and an additional group (the ester function)
was defined. Such an approach allowed us to correlate with quite good accuracy all the binary
FAE/CO2 systems. In a second step, dew points of (CO2/fish oil) systems were measured and the
previous model was used to check its capability in predicting these data. The fish oil under
study contained 30 different fatty acid ethyl esters, and the model was able to predict with very
good accuracy the measured saturation pressures.