Application of the cubic-plus-association (CPA) equation of state to complex mixtures with aromatic hydrocarbons

Georgios Folas, 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 phase equilibria of mixtures containing alcohols, glycols, water, and aromatic or olefinic hydrocarbons. Previously, CPA has been successfully used for mixtures containing various associating compounds (alcohols, glycols, amines, organic acids, and water) and aliphatic hydrocarbons. We show in this work that the model can be satisfactorily extended to complex vapor-liquid-liquid equilibria with aromatic or olefinic hydrocarbons. The solvation between aromatics/olefinics and polar compounds is accounted for. This is particularly important for mixtures containing water and glycols, but less so for mixtures with alcohols. For water/hydrocarbons, a single binary interaction parameter which accounts for the solvation is fitted to the experimental liquid-liquid equilibria (LLE) data. The interaction parameter of the physical term of the model (the Soave-Redlich-Kwong (SRK) equation of state) can be obtained from mixtures with aliphatic hydrocarbons. For mixtures of glycols with aromatic hydrocarbons, two parameters have been fitted to experimental data, one in the physical (SRK) part and one in the association part of the model. Satisfactory liquid-liquid equilibrium predictions are obtained for multicomponent water-alcohol/glycol-aromatic hydrocarbons using solely parameters obtained from binary data.
Original languageEnglish
JournalIndustrial & Engineering Chemistry Research
Volume45
Issue number4
Pages (from-to)1527-1538
ISSN0888-5885
DOIs
Publication statusPublished - 2006

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