Journal article
Application of the cubic-plus-association (CPA) equation of state to complex mixtures with aromatic hydrocarbons
Department of Chemical and Biochemical Engineering, Technical University of Denmark1
Center for Phase Equilibria and Separation Processes, Department of Chemical and Biochemical Engineering, Technical University of Denmark2
Center for Energy Resources Engineering, Centers, Technical University of Denmark3
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.
Language: | English |
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Year: | 2006 |
Pages: | 1527-1538 |
ISSN: | 15205045 and 08885885 |
Types: | Journal article |
DOI: | 10.1021/ie050976q |
ORCIDs: | Kontogeorgis, Georgios and Stenby, Erling Halfdan |