E. Siimer et L. Kudryavtseva, AN IMPROVEMENT FOR THE EXCESS ENTHALPY PREDICTION BY UNIFAC .1. BINARY-MIXTURES CONTAINING ALKANES, Journal of solution chemistry, 22(4), 1993, pp. 383-390
The UNIFAC model is tested for its ability to correlate and predict bi
nary excess enthalpies. Besides the alkanes containing systems from ea
rlier work, those for ester-alkane mixtures are also investigated. The
model is fitted to binary excess enthalpy data. The influence of grou
p surface area parameters is also examined by using values based on th
e van der Waals surface areas Q, multiplied for all the groups by the
factor n. A significant improvement of H(E) calculation in most of the
systems considered is observed if the factor n is taken equal to 3.