CORRELATION AND PREDICTION OF EXCESS-ENTHALPIES OF ESTER PLUS N-ALKANE SYSTEMS USING THE UNIFAC MODEL

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.