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Group‐contribution lattice‐fluid EOS: Prediction of LLE in polymer solutions
Author(s) -
Lee ByungChul,
Danner Ronald P.
Publication year - 1996
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690421123
Subject(s) - group contribution method , thermodynamics , binary number , polymer , chemistry , equation of state , lattice (music) , group (periodic table) , phase equilibrium , organic chemistry , physics , mathematics , arithmetic , acoustics , phase (matter)
The modified group‐contribution lattice‐fluid equation of state (GCLF–EOS) was applied to predict liquid–liquid equilibria (LLE) in polymer solutions. The modified GCLF–EOS is a group‐contribution form of the equation of state by Panayiotou and Vera based on the lattice‐hole theory. Group contributions for the interaction energy and reference volume were developed based only on the saturated vapor pressures and liquid densities of low‐molecular‐weight compounds. For a mixture, group contributions for the binary interaction parameter were developed from the binary vapor–liquid equilibria of low‐molecular‐weight compounds. This modified GCLF–EOS model can be applied to predict LLE behavior in polymer solutions with the same group‐contribution parameters as used for predicting the vapor–liquid equilibria. The only input required for the model is the structure of the molecules in terms of their functional groups.