Abstract
The perturbed-chain statistical associating fluid theory (PC-SAFT) is used to investigate the vapor−liquid equilibria for binary supercritical carbon dioxide (CO2) and hydrocarbon mixtures. The molecular parameters m, σ, and e/k for pure CO2 and hydrocarbons with carbon number n ≤ 20 are taken from the work of Gross and Sadowski. m, σ, and e/k for n-alkanes with n > 20 are obtained by extrapolation from the linear relationships between molecular parameters and molecular weight Mw. The binary interaction parameters (kij) are regressed by using the experimental data. Investigation shows PC-SAFT is able to accurately describe the vapor−liquid-phase equilibria for both CO2−light hydrocarbon and CO2−heavy n-alkane (up to C44) binary mixtures. When the carbon number n in each hydrocarbon ranges from 1 to 20, the regressed kij increases monotonically with the increase of n. However, when n is greater than 20, there is a unique binary interaction parameter (kij = 0.16) that can well describe the vapor−liquid-phas...
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