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UNIQUAC

UNIQUAC (short for UNIversal QUAsiChemical) is an activity coefficient model used in description of phase equilibria. The model is a so-called lattice model and has been derived from a first order approximation of interacting molecule surfaces in statistical thermodynamics. The model is however not fully thermodynamically consistent due to its two liquid mixture approach. In this approach the local concentration around one central molecule is assumed to be independent from the local composition around another type of molecule.

It has been shown that while the local compositions are correlated, ignoring this correlation gives little effect on the correlation of activity coefficients. Today the UNIQUAC model is frequently applied in the description of phase equilibria (i.e. liquid–solid, liquid–liquid or liquid–vapor equilibrium). The UNIQUAC model also serves as the basis of the development of the group contribution method UNIFAC, where molecules are subdivided into functional groups. In fact, UNIQUAC is equal to UNIFAC for mixtures of molecules, which are not subdivided; e.g. the binary systems water-methanol, methanol-acryonitrile and formaldehyde-DMF.

A more thermodynamically consistent form of UNIQUAC is given by the more recent COSMOSPACE and the equivalent GEQUAC model.