Interaction parameters within TEA property package

[Stephan]

Hallo,

I tried

NRTL and Uniquac as activity coefficient models. However, error message showed up within Tea:
All interaction parameters must be set.
However, there are interaction parameters visible in the interaction parameter tab.

Same thing for Uniquac and Hayden O'Connel as gas-EOS.

Is this a bug or have additional IPs to be provided that are not specified within the COCO ipd-Files?

[jasper]

Is this in COCO/COFE? If so, can you attached the fsd file for me to look at?

[Stephan]

I attached an example. Changing vapour EOS into Hayden O'Connel failes
and the mentioned error message pops up.

[jasper]

... but not all interaction parameters for Hayden O'Connel are set:

Screenshot 2020-09-22 193929.png (12.15 KiB) Viewed 10202 times

[Stephan]

[jasper]

I am not clear on that. NRTL binary interaction coefficients are unrelated to Hayden O'Connel ones. And I am not sure how NRTL would work without specifying all coefficients. Perhaps it is assuming zero.

[jasper]

[jasper]

[Stephan]

Sorry for the confusion with NRTL and Hayden O'Connel.

The above mentioned error showes up whenever I try one of the IP-based models within TEA.
When I try those models within Chemsep using the same IP-datatables, it "works" without error.

Is that a bug within TEA?

As I understood I can manually set all missing IP's to zero to make the models running within TEA.
Is that correct?

Would that be a workaround for all IP-based models within TEA (NRTL, Hayden O'Connel etc.) ?

[jasper]

It depends on the model. For example, PR will work find and will assume zeros. Models for which zero is not necessarily a useful default will not accept a default. This is not a bug.

If you *do* want them to run with zeroes, put in zeros. But again - this is not necessarily a good 'default' value.