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UNIQUAC (short for ''UNI''versal ''QUA''si''C''hemical) is an activity coefficient model used in description of phase equilibria.〔Abrams D.S., Prausnitz J.M., “Statistical Thermodynamics of Liquid Mixtures: A New Expression for the Excess Gibbs Energy of Partly or Completely Miscible Systems”, AIChE J., 21(1), 116–128, 1975〕 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.〔McDermott (Fluid Phase Equilibrium 1(1977)33) and Flemr (Coll.Czech.Chem.Comm., 41(1976)3347)〕 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 in atomic 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.〔Egner, K., Gaube, J., and Pfennig, A.: GEQUAC, an excess Gibbs energy model for simultaneous description of associating and non-associating liquid mixtures. Ber. Buns. Ges. 101(2): 209–218 (1997). Egner, K., Gaube, J., and Pfennig, A.: GEQUAC, an excess Gibbs energy model describing associating and nonassociating liquid mixtures by a new model concept for functional groups. Fluid Phase Equilibria 158–160: 381–389 (1999)〕 == Equations == In the UNIQUAC model the activity coefficients of the ''i''th component of a two component mixture are described by a combinatorial and a residual contribution. The first is an entropic term quantifying the deviation from ideal solubility as a result of differences in molecule shape. The latter is an enthalpic 〔Here it is assumed that the enthalpy change upon mixing can be assumed to be equal to the energy upon mixing, since the liquid excess molar volume is small and Δ ''H''ex=Δ''U''ex+''V''ex Δ''P'' ≈ Δ''U''〕 correction caused by the change in interacting forces between different molecules upon mixing. 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「UNIQUAC」の詳細全文を読む スポンサード リンク
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