Abstract
The present study examined the criteria of cluster formation around an 1-alkanol molecule in CO 2 using the infinite-dilution partial molar excess entropies ( s i , C O 2 E , ∞ ) and enthalpies ( h i , C O 2 E , ∞ ) of 1-alkanols in CO 2. The excess properties were calculated from the infinite dilution activity coefficient of the 1-alkanol in CO 2, which was calculated from the fugacity using an equation of state approach. The EoS interaction parameters were determined using the experimental data at infinite dilution. At high pressures above the CO 2 critical point, s i , C O 2 E , ∞ ≪ 0 and h i , C O 2 E , ∞ ≪ 0 hold, clusters are formed with a high order and strong attractive forces. The temperature–pressure trajectory providing the highest order and the strongest attractive force of clusters overlaps with the vapour pressure curve of pure CO 2, and the condensation trend of CO 2 results in the formation of clusters in the CO 2. The criteria of cluster formation explain the contradicting density regions identified in the literature.
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