Failed to calculate logFugacityCoefficient

Discusses use of COCO, the process simulation and modelling software suite from AmsterCHEM, downloadable from http://www.cocosimulator.org

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Failed to calculate logFugacityCoefficient

Postby Chani » 11 February 2021, 17:50

Hello,

I am getting these messages when solving this flowsheet:

- Invalid floating point operation
- error: calculate failed for unit IAT: run failed: Failed to calculate logFugacityCoefficient: CalcSinglePhaseProp failed: Property evaluation using equation of state failed: Total composition is zero

Any solution for this?
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Re: Failed to calculate logFugacityCoefficient

Postby jasper » 12 February 2021, 10:14

The issue is being looked into
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Re: Failed to calculate logFugacityCoefficient

Postby jasper » 12 February 2021, 12:26

To make this run, you added Sulphur to ChemSep's PCD files, correct? Can you provide the PCD file?
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Re: Failed to calculate logFugacityCoefficient

Postby Chani » 12 February 2021, 15:08

Yes, I added Sulfur and Sulfuric acid.

It doesn't allow me to add the extension pcd to this forum. I will send it to your email.
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Re: Failed to calculate logFugacityCoefficient

Postby jasper » 14 February 2021, 08:34

Quoting prof. Ross Taylor:

It looks to me as though the gas feed is to the top of the column and the liquid feed to the bottom.
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Re: Failed to calculate logFugacityCoefficient

Postby jasper » 15 February 2021, 09:09

More from Ross Taylor:
Also, I strongly advise Chani never to add compounds to the ChemSep databank. If ChemSep is updated then the modified databank will be lost.

Best advice is to create new databank for anything new and to save it somewhere other than the ChermSep pcd folder.
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Re: Failed to calculate logFugacityCoefficient

Postby Chani » 15 February 2021, 09:28

Thank you Jasper and Dr. Ross for the reply.

I have checked and the gas feed is at the bottom and liquid at the top of the column.

Yes, I know I can't modify chemsep databank of compounds so I created my own pcd file and added the rest of the components I need and saved it in another location.
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Re: Failed to calculate logFugacityCoefficient

Postby alrep3011 » 29 May 2023, 15:58

Hi, I´m trying to do the same simulation but I can´t add the properties of sulfur, it shows multiple errors and missing data, could you send me the pcd file that you use on your program please?
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Re: Failed to calculate logFugacityCoefficient

Postby jasper » 30 May 2023, 08:18

If you are using TEA - you can just load Sulphur (S8) from Solids.pcd. Hit the Browse button:

Screenshot 2023-05-30 093344.png
Screenshot 2023-05-30 093344.png (41.09 KiB) Viewed 10543 times
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Re: Failed to calculate logFugacityCoefficient

Postby alrep3011 » 31 May 2023, 07:01

I´ve
jasper wrote:If you are using TEA - you can just load Sulphur (S8) from Solids.pcd. Hit the Browse button:

Screenshot 2023-05-30 093344.png



I´ve already tried that , the problem is the sulfur needs to be molten and it doesn´t let me process the solid one.
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