E. Siimer et L. Kudryavtseva, CORRELATION AND PREDICTION OF EXCESS-ENTHALPIES OF ESTER PLUS N-ALKANE SYSTEMS USING THE UNIFAC MODEL, Thermochimica acta, 240, 1994, pp. 207-213
The original UNIFAC model and two of its modifications have been fitte
d to binary molar excess enthalpy (H(E)) data to correlate and predict
binary excess enthalpy H(E) in systems containing esters and n-alkane
s. The results show that the version of Rupp et al. (Ind. Eng. Chem. P
rocess Des- Dev., 23 (1984) 391) and the UNIFAC model with tripled val
ues of surface area parameters (UNIFAC(3Q)) are preferable to the orig
inal UNIFAC model. Both versions produce mean deviations of H(E) bette
r than 7% for all the systems containing methanoates, ethanoates, the
other alkanoates and benzoates studied.