Water/hydrocarbon phase equilibria using the thermodynamic perturbation theory

Epaminondas C. Voutsas, Georgios C. Boulougouris, Ioannis Economou, Dimitrios P. Tassios

Research output: Contribution to journalArticle

102 Citations (Scopus)

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 languageEnglish
Pages (from-to)797-804
Number of pages8
JournalIndustrial and Engineering Chemistry Research
Volume39
Issue number3
Publication statusPublished - 2000
Externally publishedYes

Fingerprint

phase equilibrium
Hydrocarbons
Phase equilibria
thermodynamics
perturbation
Thermodynamics
hydrocarbon
Fluids
fluid
Water
Association reactions
Density of liquids
water
Alkanes
alkene
thermodynamic property
Alkenes
Vapor pressure
Equations of state
vapor pressure

ASJC Scopus subject areas

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

Cite this

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

In: Industrial and Engineering Chemistry Research, Vol. 39, No. 3, 2000, p. 797-804.

Research output: Contribution to journalArticle

Voutsas, Epaminondas C. ; Boulougouris, Georgios C. ; Economou, Ioannis ; Tassios, Dimitrios P. / Water/hydrocarbon phase equilibria using the thermodynamic perturbation theory. In: Industrial and Engineering Chemistry Research. 2000 ; Vol. 39, No. 3. pp. 797-804.
@article{c57471ef0f2f4e1db192fa1371b51e68,
title = "Water/hydrocarbon phase equilibria using the thermodynamic perturbation theory",
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.",
author = "Voutsas, {Epaminondas C.} and Boulougouris, {Georgios C.} and Ioannis Economou and Tassios, {Dimitrios P.}",
year = "2000",
language = "English",
volume = "39",
pages = "797--804",
journal = "Industrial and Engineering Chemistry Research",
issn = "0888-5885",
publisher = "American Chemical Society",
number = "3",

}

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 -