Modeling gas hydrate-containing phase equilibria for carbon dioxide-rich mixtures using an equation of state

Ju Ho Lee, Sun Hyung Kim, Jeong Won Kang, Chul Soo Lee

Research output: Contribution to journalArticlepeer-review

13 Citations (Scopus)


Thermodynamic modeling of phase behaviors for CO2-rich mixtures in gas hydrate forming conditions are required for the process design in the field of carbon dioxide sequestration and enhanced oil recovery. With recent experimental data published for solubility of water in CO2-rich mixtures that are significantly different from those previously published, improved modeling studies become necessary for phase equilibria containing gas hydrates. In the present study, an equation of state based on hydrogen-bonding nonrandom lattice fluid theory was applied for both vapor and liquid phases. The model for hydrogen-bonding contribution is simplified and a weak hydrogen bonding between water and carbon dioxide was included for improved calculation of mutual solubility. Hydrate phase was modeled by van der Waals and Platteeuw method but without guest specific parameters other than Kihara potential parameters. The method was applied to single and binary CO2-rich guest mixtures containing methane, ethane, propane, isobutene, nitrogen, hydrogen sulfide and methanol for temperatures above 180 K and pressures below 100 MPa. Results of two- and three-phase equilibrium calculations containing gas hydrates were found to be comparable with those of CSMGem (Sloan and Koh, Clathrate and Hydrates of Natural Gases, 3rd ed., CRC Press, Boca Raton, FL, 2008) in general and better for water contents in liquid carbon dioxide in equilibrium with gas hydrates.

Original languageEnglish
Pages (from-to)136-149
Number of pages14
JournalFluid Phase Equilibria
Publication statusPublished - 2016 Feb 15

Bibliographical note

Funding Information:
This research was also supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT & Future Planning (No. 2014R1A5A1009799 ).

Funding Information:
This research was a part of the project titled “Development of Technology for CO 2 Offshore Geological Storage” funded by the Ministry of Land, Transport and Maritime Affairs, Korea .

Publisher Copyright:
© 2015 Published by Elsevier B.V.


  • Carbon dioxide
  • Clathrate hydrate
  • Nonrandom lattice fluid with hydrogen boding

ASJC Scopus subject areas

  • General Chemical Engineering
  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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