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Prediction of excess free energies of liquid mixtures by an analytical group solution model
Author(s) -
Ronc M.,
Ratcliff G. A.
Publication year - 1971
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.5450490620
Subject(s) - methylene , binary number , aqueous solution , group (periodic table) , group contribution method , range (aeronautics) , chemistry , thermodynamics , materials science , mathematics , organic chemistry , physics , phase equilibrium , arithmetic , composite material , phase (matter)
The group solution model of Ratcliff and Chao for the excess free energies of liquid mixtures has been put in analytical form using the Wilson equation. This procedure obviates some of the limitations and inaccuracies of the previous model, and is well suited to computer calculation. It was tested and found satisfactory for a wide range of mixtures containing the groups methylene and hydroxyl Group Wilson parameters were generated from experimental data for methylene/hydroxyl mixtures at 25°C to 95°C, and are given by\documentclass{article}\pagestyle{empty}\begin{document}$$ a_{OH/CH_2} = \exp\left({7.55 - \frac{{3800}}{{t + 273.16}}} \right)$$\end{document}\documentclass{article}\pagestyle{empty}\begin{document}$$ a_{CH_2 /OH}= 0.5 $$\end{document}At temperatures within or close to this range, these parameters allow the prediction of excess free energies of binary or multicomponent mixtures containing these two groups. No experimental data are required. Good results are obtained for aqueous systems.