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Relative deviations between
experimental and predicted data for 3300 consistent VLE data sets
A comparison of the results obtained
from original UNIFAC and Modified UNIFAC (Dortmund) demonstrates the
improvements already obtained for Modified UNIFAC (Dortmund). This is
illustrated in the figures above:
The first figure shows the calculated deviations in vapor mole fraction
y, temperature T and pressure P for 3300 thermodynamically consistent isothermal
/ isobaric VLE data sets.
Besides the predictions using UNIFAC and Modified UNIFAC (Dortmund), the
results obtained by a direct fit of the VLE data using the UNIQUAC method are
given. It can be seen from deviations between the direct fit and the prediction
that the error is reduced dramatically for all three criteria when UNIFAC or
especially Modified UNIFAC (Dortmund) is used.
Assembly ideal behavior (Raoults law) enlarges the errors by a factor of
5 compared to Modified UNIFAC (Dortmund).
Similar improvements of the predictiv capability are also achieved for
process enthalpies, activity coefficients at infinite dilution (see second
figure), liquid-liquid equilibria, azeotropic data and solid-liquid equilibria
of eutectic systems.

Relative deviations between experimental and predicted
activity coefficients at infinite diluton (data base: 12 600 data points)*
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