화학공학소재연구정보센터
Reviews in Chemical Engineering, Vol.21, No.2, 71-94, 2005
Review of the main methods of critical parameter estimation: Application to the correlation of palmitic acid/supercritical carbon dioxide phase equilibrium data
An overview of the most commonly used group contribution methods for the estimation of critical parameters is given. In this context, examples of the application of these methods for carbon dioxide/palmitic acid equilibrium data are discussed. A thermodynamic correlation method for the solubility of palmitic acid in supercritical carbon dioxide is used. The correlation employs the Peng-Robinson (PR) cubic equation of state (EOS) and different group contribution methods (GCM) to estimate critical parameters. The mixture energy parameter of the EOS, a(ij), is evaluated by the van der Waals (VDW) mixing rules (MR). The binary interaction parameter, K-12, and the solid sublimation pressure, P-2(sat), are optimally fitted using the experimental solubility data. The saturation pressure deduced from this model is compared with data reported in the literature. Furthermore, the consequences of the choice of GCM on our calculations are discussed. The results from our model demonstrate that the agreement between measured and calculated solubility data depends on the GCM chosen. It is also shown that the use of a method that does not use group contributions can provide better results than methods that do involve such contributions.