Progress Visualization

⇒ [Modified UNIFAC (Dortmund)] [Original UNIFAC] [PSRK] [VTPR]

Modified UNIFAC (Dortmund)

The work was focussed mainly on the further development of the modified UNIFAC (Dortmund) method and the consortium managed to double the number of available parameters and to improve the quality and reliability of the method to a really remarkable extent.

The current (consortium delivery 2017) interaction parameter matrix for modified UNIFAC (Dortmund) contains 6716 (6506 for 2016) parameters for 1790 (1730 for 2016) group pairs.

UNIFACDO All Consortium Parameters

For comparison: The published parameter matrix for modified UNIFAC (Dortmund) contained 2670 parameters for 659 group pairs:

Modified UNIFAC (Dortmund) - Published Parameters

Jakob A., Grensemann H., Lohmann J., Gmehling J., "Further Development of Modified UNIFAC (Dortmund): Revision and Extension 5", Ind.Eng.Chem.Res., 45(23), 7924-7933, 2006

All the UNIFAC Consortium's work in a single diagram gives the following triangle:

UNIFACDO All Consortium Changes

The following animated diagram shows the yearly growth of interaction parameters from 1997 to 2017:

UNIFACDO Progress 1997 to 2017

The next diagram contains the same information but the information about the revised and added parameter is color-encoded:

Progress of UNIFAC (Dortmund) from 1997 to 2017

Original UNIFAC

All the changes (new and revised parameter) for original UNIFAC are shown in the following diagram:

UNIFAC Comparing Consortium Parameters with Published Parameters

PSRK

All the changes (new and revised parameter) for PSRK are shown in the following diagram:

PSRK Comparing Consortium Parameters with Published Parameters

VTPR

All the changes (new and revised parameter) for VTPR are shown in the following diagram:

Changed and Revised Parameters of VTPRThe group contribution equation of state model VTPR has been added as fourth supported model in the UNIFAC Consortium this year (2017). It is the successor of PSRK in many regards but will not replace PSRK, at least not yet. The developers of VTPR have tackled quite some weaknesses of PSRK and the UNIFAC Consortium is now busily building up the parameter base and the group assignments. The combination of an improved model and the creation of new interaction parameters plus an optimized group assignment scheme based on the current Dortmund Data Bank promises very precise, widely applicable, and reliable predictions.

A description of VTPR is available in the English Wikipedia.