UNIFAC model

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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:

UNIQUAC: UNIQUAC model on Wikipedia

UNIFAC: UNIFAC model on Wikipedia

modified UNIFAC: A modified UNIFAC group-contribution model for prediction of phase equilibria and heats of mixing

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 modified UNIFAC group-contribution method:

PSRK model on Wikipedia

See also predictive Soave-Redlich-Kwong (PSRK)

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


See also Thermodynamics with ASCEND.

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