Hydrocarbons - water phase equilibria using the cpa equation of state with a group contribution method

Martha Hajiw, Antonin Chapoy*, Christophe Coquelet

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

33 Citations (Scopus)


It is proposed in this paper to extend the original group contribution method PPR78 to systems containing water, by combining it to the Cubic-Plus-Association (CPA) equation of state (EoS). Applying simple geometric combination rules, the binary interaction parameter kij(T) can be calculated from interaction parameters between hydrocarbon groups and water. This model, called the GC-PR-CPA is applied to predict hydrocarbons - water mutual solubilities over a wide temperature and pressure range, depending on available literature data. Group interaction parameters, here CH4, C2H6, CH3, CH2, CH, C, CHaro, CH2,cyclic, CHcyclic/Ccyclic, C2H4, CH2,alkene/CHalkene with H2O have been defined with solubility data. Predictions of the developed model have been validated against independent solubility data as well as water content in hydrocarbon rich phase. Predictions of the new model are in good agreement for light and medium hydrocarbons; however, some deviations are observed for heavier hydrocarbons.

Original languageEnglish
Pages (from-to)432-442
Number of pages11
JournalCanadian Journal of Chemical Engineering
Issue number2
Early online date18 Dec 2014
Publication statusPublished - Feb 2015


  • Binary interaction parameters
  • Equation of state
  • Group contribution method
  • Vapour - liquid equilibrium

ASJC Scopus subject areas

  • General Chemical Engineering


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