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A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n‑Alkanes
journal contribution
posted on 2013-05-15, 00:00 authored by Khashayar NasrifarA simplified hard-chain dimer theory
is employed with perturbed-chain
statistical associating fluid theory (PC-SAFT) in calculating the
vapor pressures and saturated liquid volumes of pure n-alkanes from methane to n-eicosane. Compared to
the original PC-SAFT, the developed model is in better agreement with
the experimental vapor pressures and saturated liquid volumes of n-alkanes along the vapor–liquid coexistence curve
and the critical properties from n-butane toward
longer n-alkanes. Predicting the vapor–liquid
equilibria (VLE) of binary mixtures containing methane and a long-chain n-alkane, the new model describes the mixtures more accurately
than PC-SAFT. With no binary interaction parameter, the model adequately
describes the experimental VLE data, in particular, near the critical
points. In the prediction of the VLE of mixtures containing ethane,
propane, n-hexane, and a long-chain n-alkane, the differences between the two models become less appreciable.