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Prediction of heats of mixing by a group solution model with application to alkane/alcohol mixtures
Author(s) -
Nguyen T. H.,
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.5450490121
Subject(s) - extrapolation , alkane , thermodynamics , group (periodic table) , mixing (physics) , alcohol , group contribution method , chemistry , experimental data , unifac , ideal solution , hydrocarbon , organic chemistry , activity coefficient , phase equilibrium , mathematics , physics , statistics , phase (matter) , quantum mechanics , aqueous solution
Group solution models of liquid mixtures have been used previously to predict excess free energies of non‐ideal systems. With increasing experimental data available on heats of mixing, the application of a similar model to excess enthalpies has been investigated. The model allows for both structural and group contributions to excess enthalpies. The former contribution is determined from experimental data on mixtures of alkanes. The group contribution has been determined at 25°C and 45°C for systems containing alkanes and alcohols. Predictions require no experimental data on the system in question, and are in good agreement with experiment. Limited extrapolation to other temperatures and group compositions should be satisfactory.