Abstract
In Part I of this series of articles, the study of H 2S mixtures has been presented with CPA. In this study the phase behavior of CO 2 containing mixtures is modeled. Binary mixtures with water, alcohols, glycols and hydrocarbons are investigated. Both phase equilibria (vapor–liquid and liquid–liquid) and densities are considered for the mixtures involved. Different approaches for modeling pure CO 2 and mixtures are compared. CO 2 is modeled as non self-associating fluid, or as self-associating component having two, three and four association sites. Moreover, when mixtures of CO 2 with polar compounds (water, alcohols and glycols) are considered, the importance of cross-association is investigated. The cross-association is accounted for either via combining rules or using a cross-solvation energy obtained from experimental spectroscopic or calorimetric data or from ab initio calculations. In both cases two adjustable parameters are used when solvation is explicitly accounted for. The performance of CPA using the various modeling approaches for CO 2 and its interactions is presented and discussed, comparatively to various recent published investigations. It is shown that overall very good correlation is obtained for binary mixtures of CO 2 and water or alcohols when the solvation between CO 2 and the polar compound is explicitly accounted for, whereas the model is less satisfactory when CO 2 is treated as self-associating compound.
Published Version
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