Hydrocarbons – water phase equilibria using the CPA equation of state with a group contribution method. (18th December 2014)

• Record Type: Journal Article
• Authors: Hajiw, Martha; Chapoy, Antonin; Coquelet, Christophe
• Is Part Of: Canadian journal of chemical engineering. Volume 93:Number 2(2015)
• Page Start: 432
• Page End: 442
• Publication Date: 2014-12-18
• Subjects: Chemical engineering -- Periodicals; Technology -- Periodicals; 660.05
• DOI: 10.1002/cjce.22093
• Languages: English
• ISSNs: 0008-4034

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <sec id="cjce22093-sec-0001" sec-type="section"> <p>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 k_ij(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, CH_aro, CH_{2, cyclic}, CH_cyclic/C_cyclic, C₂H₄, CH_{2, alkene}/CH_alkene 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.</p> </sec> </abstract>