### Abstract

Two equations of state, the cubic plus association (CPA) and the statistical associating fluid theory (SAFT), which account explicitly for the effect of hydrogen bonding on the thermodynamic properties of associating fluids using the perturbation theory of Wertheim (J. Stat. Phys. 1986, 42, 459, 477), are applied to predict the phase equilibrium of pure water, n- alkanes, and 1-alkenes as well as the low- and high-pressure phase equilibrium of water/hydrocarbon mixtures. The pure compound parameters for the two equations are estimated by fitting experimental vapor pressure and saturated liquid density data that cover a very wide temperature range from approximately the triple point to very close to the critical point. One temperature-independent binary interaction parameter is calculated for each of the mixtures examined. The analysis of the results shows that the increased complexity of SAFT over CPA does not offer any improvement in modeling highly nonideal fluid behavior, at least for the systems examined here.

Original language | English |
---|---|

Pages (from-to) | 797-804 |

Number of pages | 8 |

Journal | Industrial and Engineering Chemistry Research |

Volume | 39 |

Issue number | 3 |

Publication status | Published - 2000 |

Externally published | Yes |

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### ASJC Scopus subject areas

- Polymers and Plastics
- Environmental Science(all)
- Chemical Engineering (miscellaneous)

### Cite this

*Industrial and Engineering Chemistry Research*,

*39*(3), 797-804.

**Water/hydrocarbon phase equilibria using the thermodynamic perturbation theory.** / Voutsas, Epaminondas C.; Boulougouris, Georgios C.; Economou, Ioannis; Tassios, Dimitrios P.

Research output: Contribution to journal › Article

*Industrial and Engineering Chemistry Research*, vol. 39, no. 3, pp. 797-804.

}

TY - JOUR

T1 - Water/hydrocarbon phase equilibria using the thermodynamic perturbation theory

AU - Voutsas, Epaminondas C.

AU - Boulougouris, Georgios C.

AU - Economou, Ioannis

AU - Tassios, Dimitrios P.

PY - 2000

Y1 - 2000

N2 - Two equations of state, the cubic plus association (CPA) and the statistical associating fluid theory (SAFT), which account explicitly for the effect of hydrogen bonding on the thermodynamic properties of associating fluids using the perturbation theory of Wertheim (J. Stat. Phys. 1986, 42, 459, 477), are applied to predict the phase equilibrium of pure water, n- alkanes, and 1-alkenes as well as the low- and high-pressure phase equilibrium of water/hydrocarbon mixtures. The pure compound parameters for the two equations are estimated by fitting experimental vapor pressure and saturated liquid density data that cover a very wide temperature range from approximately the triple point to very close to the critical point. One temperature-independent binary interaction parameter is calculated for each of the mixtures examined. The analysis of the results shows that the increased complexity of SAFT over CPA does not offer any improvement in modeling highly nonideal fluid behavior, at least for the systems examined here.

AB - Two equations of state, the cubic plus association (CPA) and the statistical associating fluid theory (SAFT), which account explicitly for the effect of hydrogen bonding on the thermodynamic properties of associating fluids using the perturbation theory of Wertheim (J. Stat. Phys. 1986, 42, 459, 477), are applied to predict the phase equilibrium of pure water, n- alkanes, and 1-alkenes as well as the low- and high-pressure phase equilibrium of water/hydrocarbon mixtures. The pure compound parameters for the two equations are estimated by fitting experimental vapor pressure and saturated liquid density data that cover a very wide temperature range from approximately the triple point to very close to the critical point. One temperature-independent binary interaction parameter is calculated for each of the mixtures examined. The analysis of the results shows that the increased complexity of SAFT over CPA does not offer any improvement in modeling highly nonideal fluid behavior, at least for the systems examined here.

UR - http://www.scopus.com/inward/record.url?scp=0033627349&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0033627349&partnerID=8YFLogxK

M3 - Article

VL - 39

SP - 797

EP - 804

JO - Industrial and Engineering Chemistry Research

JF - Industrial and Engineering Chemistry Research

SN - 0888-5885

IS - 3

ER -