Important Equations

The UNIFAC method receives broad application throughout thermodynamic modeling. In fact, occasional applications of UNIFAC may be too broad in the sense that experimental data specific to a particular binary system are ignored and UNIFAC predictions are not validated with actual measurements. A literature search should be conducted for experimental data pertaining to every molecular interaction in a mixture and compared to the UNIFAC predictions. If significant deviations are observed, then UNIQUAC (or Wilson or NRTL) should be applied as the general activity model with system-specific parameters whenever possible and parameters inferred from UNIFAC predictions only in cases where no experimental data are available. In that context, an important equation for this chapter is best characterized by the UNIQUAC model.

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Fundamentally, the energy equation for mixtures summarizes all local composition models:

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