| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 620954 | Chemical Engineering Research and Design | 2014 | 11 Pages |
•A general theory is proposed for any polarization effects in fluid mixtures.•The validity of the theory is tested against molecular simulation data.•The theory is consistent with equations of state applied to hard chain mixtures.•The validity of the theory is tested by studying VLE of highly non-ideal mixtures.
In this work, a general theory to account for any kind of polarization arising from polar as well as ions induced interactions in fluid mixtures is proposed. The general treatment is based on the self-consistent mean field theory (SCMF) that was originally proposed and applied for pure components using integral equation theories and molecular simulation studies. The extended SCMF is consistent with theory-based equations of state applied to hard chain mixtures. The theory is extended to mixtures and compared to molecular simulation data. The comparison to molecular simulation data shows good to excellent results for phase co-existence properties, energy and effective dipole moment. The validity of the theory is demonstrated by studying VLE of highly non-ideal mixtures of aldehyde and ketones using statistical association fluid theory.
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