Activity Coefficient Model: NRTL

The model is described in: H. Renon and J.M. Prausnitz, "Local Compositions in Thermodynamic Excess Functions for Liquid Mixtures," AIChE J., 1968, Vol. 14(1), pp. 135 - 144.

GEX/(R ×T) = x1 ×x2 × [c1 ×exp(-k×c1)/{x1 + x2 ×exp(-k×c1)} + c2 ×exp(-k×c2)/{x2 + x1 ×exp(-k×c2)}]

Parameters determined in TDE are k, c1, and c2. For the symmetric form, c1 = c2.

Temperature dependencies for activity-coefficient model parameters are expressed with: TDE-TSeries1.

annotated equation parameters window: under parameters the first item is k, followed by a table of parameters A_n and B_n, which are used to construct c_n using the expression c_n=A_n+(B_n / T), where T is temperature in Kelvin

Details of the model implementation in TDE, including ThermoML-Equation representation are available. (See the ThermoML web site for details of this IUPAC communication standard.)