Modeling Phase Equilibria for Acid Gas Mixtures Using the CPA Equation of State. I. Mixtures with H2S

Ioannis Tsivintzelis, Georgios Kontogeorgis, Michael Locht Michelsen, Erling Halfdan Stenby

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The Cubic-Plus-Association (CPA) equation of state is applied to a large variety of mixtures containing H2S, which are of interest in the oil and gas industry. Binary H2S mixtures with alkanes, CO2, water, methanol, and glycols are first considered. The interactions of H2S with polar compounds (water, methanol, and glycols) are modeled assuming presence or not of cross-association interactions. Such interactions are accounted for using either a combining rule or a cross-solvation energy obtained from spectroscopic data. Using the parameters obtained from the binary systems, one ternary and three quaternary mixtures are considered. It is shown that overall excellent correlation for binary, mixtures and satisfactory prediction results for multicomponent systems are obtained. There are significant differences between the various modeling approaches and the best results are obtained when cross association is explicitly accounted for, especially using the cross-association energy from independent experimental studies rather than from combining rules.
Original languageEnglish
JournalA I Ch E Journal
Volume56
Issue number11
Pages (from-to)2965-2982
ISSN0001-1541
DOIs
Publication statusPublished - 2010

Keywords

  • association
  • acid gases
  • H2S
  • equations of state

Cite this

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title = "Modeling Phase Equilibria for Acid Gas Mixtures Using the CPA Equation of State. I. Mixtures with H2S",
abstract = "The Cubic-Plus-Association (CPA) equation of state is applied to a large variety of mixtures containing H2S, which are of interest in the oil and gas industry. Binary H2S mixtures with alkanes, CO2, water, methanol, and glycols are first considered. The interactions of H2S with polar compounds (water, methanol, and glycols) are modeled assuming presence or not of cross-association interactions. Such interactions are accounted for using either a combining rule or a cross-solvation energy obtained from spectroscopic data. Using the parameters obtained from the binary systems, one ternary and three quaternary mixtures are considered. It is shown that overall excellent correlation for binary, mixtures and satisfactory prediction results for multicomponent systems are obtained. There are significant differences between the various modeling approaches and the best results are obtained when cross association is explicitly accounted for, especially using the cross-association energy from independent experimental studies rather than from combining rules.",
keywords = "association, acid gases, H2S, equations of state",
author = "Ioannis Tsivintzelis and Georgios Kontogeorgis and Michelsen, {Michael Locht} and Stenby, {Erling Halfdan}",
year = "2010",
doi = "10.1002/aic.12207",
language = "English",
volume = "56",
pages = "2965--2982",
journal = "A I Ch E Journal",
issn = "0001-1541",
publisher = "JohnWiley & Sons, Inc.",
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Modeling Phase Equilibria for Acid Gas Mixtures Using the CPA Equation of State. I. Mixtures with H2S. / Tsivintzelis, Ioannis; Kontogeorgis, Georgios; Michelsen, Michael Locht; Stenby, Erling Halfdan.

In: A I Ch E Journal, Vol. 56, No. 11, 2010, p. 2965-2982.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Modeling Phase Equilibria for Acid Gas Mixtures Using the CPA Equation of State. I. Mixtures with H2S

AU - Tsivintzelis, Ioannis

AU - Kontogeorgis, Georgios

AU - Michelsen, Michael Locht

AU - Stenby, Erling Halfdan

PY - 2010

Y1 - 2010

N2 - The Cubic-Plus-Association (CPA) equation of state is applied to a large variety of mixtures containing H2S, which are of interest in the oil and gas industry. Binary H2S mixtures with alkanes, CO2, water, methanol, and glycols are first considered. The interactions of H2S with polar compounds (water, methanol, and glycols) are modeled assuming presence or not of cross-association interactions. Such interactions are accounted for using either a combining rule or a cross-solvation energy obtained from spectroscopic data. Using the parameters obtained from the binary systems, one ternary and three quaternary mixtures are considered. It is shown that overall excellent correlation for binary, mixtures and satisfactory prediction results for multicomponent systems are obtained. There are significant differences between the various modeling approaches and the best results are obtained when cross association is explicitly accounted for, especially using the cross-association energy from independent experimental studies rather than from combining rules.

AB - The Cubic-Plus-Association (CPA) equation of state is applied to a large variety of mixtures containing H2S, which are of interest in the oil and gas industry. Binary H2S mixtures with alkanes, CO2, water, methanol, and glycols are first considered. The interactions of H2S with polar compounds (water, methanol, and glycols) are modeled assuming presence or not of cross-association interactions. Such interactions are accounted for using either a combining rule or a cross-solvation energy obtained from spectroscopic data. Using the parameters obtained from the binary systems, one ternary and three quaternary mixtures are considered. It is shown that overall excellent correlation for binary, mixtures and satisfactory prediction results for multicomponent systems are obtained. There are significant differences between the various modeling approaches and the best results are obtained when cross association is explicitly accounted for, especially using the cross-association energy from independent experimental studies rather than from combining rules.

KW - association

KW - acid gases

KW - H2S

KW - equations of state

U2 - 10.1002/aic.12207

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JO - A I Ch E Journal

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SN - 0001-1541

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