Group Contribution Methods

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The models/thermodynamics.a4l ASCEND code provides methods for calculating vapor-liquid equilibria (VLE).

Details on various Group Contribution Methods can be found here:


Original UNIFAC:

modified UNIFAC:

The predictive Soave-Redlich-Kwong (PSRK) equation of state combines the Soave-Redlich-Kwong cubic equation of state with the Mathias-Copeman equation and the UNIFAC group-contribution method:

The UNIFAC consortium manages the parameter database for the original UNIFAC, modified UNIFAC and PSRK model: The UNIFAC Consortium

See also Thermodynamics with ASCEND.