Comparison of CP-PC-SAFT and PC-SAFT with k 12 = 0 and PPR78 in Predicting Binary Systems of Hydrocarbons with Squalane, n‑dodecylbenzene, cis-decalin, Tetralin, and Naphthalene at High Pressures
This study compares accuracies of PC-SAFT and its critical point-based revision (CP-PC-SAFT) with k 12 = 0 along with the predictive 1978 Peng–Robinson EoS (PPR78) in estimating the available high-pressure phase equilibria data in binary systems of methane, ethylene, ethane, propane, and n-hexane wi...
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Veröffentlicht in: | Industrial & engineering chemistry research 2021-11, Vol.60 (43), p.15805-15816 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | This study compares accuracies of PC-SAFT and its critical point-based revision (CP-PC-SAFT) with k 12 = 0 along with the predictive 1978 Peng–Robinson EoS (PPR78) in estimating the available high-pressure phase equilibria data in binary systems of methane, ethylene, ethane, propane, and n-hexane with heavy branched, alkylbenzoic, bicyclic aliphatic and aromatic substances represented by squalane, n-dodecylbenzene, cis-decalin, tetralin, and naphthalene. Predictions of the pure compound properties of the considered heavy substances are evaluated as well. It is found that some data were predicted more accurately by CP-PC-SAFT and othersby Peng–Robinson EoS and PPR78. At the same time, the overall performance of PC-SAFT in predicting these data is found inferior in comparison with two other considered approaches. |
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ISSN: | 0888-5885 1520-5045 |
DOI: | 10.1021/acs.iecr.1c03486 |