Evaluation of Thermodynamic Models for Predicting Phase Equilibria of CO 2 + Impurity Binary Mixture

Byeong Soo Shin, Won Gu Rho, Seong Sik You, Jeong Won Kang, Chul Soo Lee

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)


For the design and operation of CO 2 capture and storage (CCS) processes, equation of state (EoS) models are used for phase equilibrium calculations. Reliability of an EoS model plays a crucial role, and many variations of EoS models have been reported and continue to be published. The prediction of phase equilibria for CO 2 mixtures containing SO 2, N 2, NO, H 2, O 2, CH 4, H 2S , Ar, and H 2O is important for CO 2 transportation because the captured gas normally contains small amounts of impurities even though it is purified in advance. For the design of pipelines in deep sea or arctic conditions, flow assurance and safety are considered priority issues, and highly reliable calculations are required. In this work, predictive Soave–Redlich–Kwong, cubic plus association, Groupe Européen de Recherches Gazières (GERG-2008), perturbed-chain statistical associating fluid theory, and non-random lattice fluids hydrogen bond EoS models were compared regarding performance in calculating phase equilibria of CO 2-impurity binary mixtures and with the collected literature data. No single EoS could cover the entire range of systems considered in this study. Weaknesses and strong points of each EoS model were analyzed, and recommendations are given as guidelines for safe design and operation of CCS processes.

Original languageEnglish
Article number44
JournalInternational Journal of Thermophysics
Issue number3
Publication statusPublished - 2018 Mar 1


  • CO capture and storage
  • CO mixture
  • Equation of state
  • Phase equilibrium

ASJC Scopus subject areas

  • Condensed Matter Physics


Dive into the research topics of 'Evaluation of Thermodynamic Models for Predicting Phase Equilibria of CO 2 + Impurity Binary Mixture'. Together they form a unique fingerprint.

Cite this