A. Vetere, PREDICTION OF VAPOR-LIQUID-EQUILIBRIA OF NONAQUEOUS SYSTEMS IN THE SUBCRITICAL RANGE BY USING THE NRTL EQUATION, Fluid phase equilibria, 91(2), 1993, pp. 265-280
A method is proposed for using the NRTL equation to predict vapor-liqu
id equilibria of non-aqueous mixtures in the subcritical range. For cl
asses of mixtures having similar properties, the sum of the two charac
teristic energy differences g(ii) - g(ij) and g(jj) - g(ij), which app
ear in the NRTL equation, is simply related to the difference between
the Hildebrand solubility parameters, delta(i) - delta(j), where i and
j stand for the compounds in the mixture. The following subdivision d
efines classes of binary solutions which obey the above rule: mixtures
with a miscibility gap; polar/non-polar mixtures; polar/polar mixture
s; nearly ideal mixtures; mixtures with negative deviations from Raoul
t's law. The asymmetry of the NRTL equation is also determined from pu
re-component properties. The proposed procedure is applied to over 60
binary solutions which are representative of various degrees of non-id
eality, including highly asymmetric systems. A comparison is made with
a previous predictive method based on the application of a multiconst
ant equation of state (EOS).