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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Main Author: Nasrifar, Khashayar
Format: Article
Institution: Universiti Teknologi Petronas
Record Id / ISBN-0: utp-eprints.9838 /
Published: American Chemical Society Publication 2013
Subjects:
TP Chemical technology
Online Access: http://eprints.utp.edu.my/9838/1/2013-PCSAFT-N.pdf
http://eprints.utp.edu.my/9838/
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spelling utp-eprints.98382017-03-20T01:59:25Z A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n‑Alkanes Nasrifar, Khashayar TP Chemical technology 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. American Chemical Society Publication 2013 Article PeerReviewed application/pdf http://eprints.utp.edu.my/9838/1/2013-PCSAFT-N.pdf Nasrifar, Khashayar (2013) A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n‑Alkanes. Industrial Engineering Chemistry Research . ISSN 0888-5885 (In Press) http://eprints.utp.edu.my/9838/
institution Universiti Teknologi Petronas
collection UTP Institutional Repository
topic TP Chemical technology
spellingShingle TP Chemical technology
Nasrifar, Khashayar
A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n‑Alkanes
description 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.
format Article
author Nasrifar, Khashayar
author_sort Nasrifar, Khashayar
title A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n‑Alkanes
title_short A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n‑Alkanes
title_full A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n‑Alkanes
title_fullStr A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n‑Alkanes
title_full_unstemmed A Perturbed-Chain SAFT Equation of State Applied to Mixtures of Short- and Long-Chain n‑Alkanes
title_sort perturbed-chain saft equation of state applied to mixtures of short- and long-chain n‑alkanes
publisher American Chemical Society Publication
publishDate 2013
url http://eprints.utp.edu.my/9838/1/2013-PCSAFT-N.pdf
http://eprints.utp.edu.my/9838/
_version_ 1741196122800521216
score 11.62408

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