Ja. Gonzalez et al., DISQUAC structure-dependent interaction parameters for mixtures containingsec-alkanols and benzene, toluene, or n-alkanones, CAN J CHEM, 76(10), 1998, pp. 1418-1428
Citations number
90
Categorie Soggetti
Chemistry
Journal title
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
Mixtures containing sec-alkanols and benzene, toluene, or n-alkanones are c
haracterized in terms of DISQUAC by means of structure-dependent interactio
n parameters. The quasichemical (QUAC) interchange coefficients are indepen
dent of the size alcohol for a given organic solvent; while the dispersive
(DIS) ones change with the size of the alcohol. This behaviour has been fou
nd for other many alcoholic solutions. DISQUAC represents well the thermody
namic properties of these mixtures: vapor-liquid equilibria, VLE, molar exc
ess Gibbs energies, G(E), and molar excess enthalpies, H-E. So, the mean de
viations between experimental and calculated results are about 2% for press
ure, and 8% for H-E. A Short comparison between DISQUAC results and those g
iven by the Dortmund version of UNIFAC, the UNIQUAC association theory and
other similar model is also presented. In the case of the Dortmund version
of UNIFAC, poorer predictions are obtained for H-E, as this property is mor
e sensitive to molecular structure. Association theories provide better res
ults because are used as correlation equations.