A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n‑Alkanes
ABSTRACT: A simplified hard-chain dimer theory is employed with perturbed-chain statistical associating fluid theory (PCSAFT) 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 be...
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| Format: | Article |
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American Chemical Society Publication
2013
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| Online Access: | http://eprints.utp.edu.my/9838/1/2013-PCSAFT-N.pdf http://eprints.utp.edu.my/9838/ |
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| Summary: | ABSTRACT: A simplified hard-chain dimer theory is employed with perturbed-chain statistical associating fluid theory (PCSAFT)
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. |
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