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CAPE-OPEN • View topic - Failed to calculate logFugacityCoefficient

Failed to calculate logFugacityCoefficient

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

Moderator: jasper

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

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Re: Failed to calculate logFugacityCoefficient

Postby jasper » 15 February 2021, 09:09

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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 10781 times
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Re: Failed to calculate logFugacityCoefficient

Postby alrep3011 » 31 May 2023, 07:01

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