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Comments (8)

DanWBR avatar DanWBR commented on May 27, 2024

What's messing everything is the calculated equilibrium constant for the POM reaction, which is about 1.06E+23, and the solver is having a hard time dealing with such a high value. Not sure if this is correct, can you check?

Captura de Tela 2020-11-15 às 21 24 59

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Kouessan avatar Kouessan commented on May 27, 2024

I guess that this might be the cause of the problem.
However, how can i access this version of the debug-mode?

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DanWBR avatar DanWBR commented on May 27, 2024

Do you have the expected results from another simulator?

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Kouessan avatar Kouessan commented on May 27, 2024

I just received these values for the equilibrium constant for the reaction from AspenPlus. They are also calculated with Gibbs Minimization.
So these high values seem to be quite usual. Since the reaction is also actually irreversible, it also makes sense that Keq is quite high.

aspenpartialox

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DanWBR avatar DanWBR commented on May 27, 2024

Sure! They aren't wrong at all. I've modified the objective function to use natural log and it worked. I just would like to know what are the expected results before releasing the update.

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DanWBR avatar DanWBR commented on May 27, 2024

Results with the fixed code:

Captura de Tela 2020-11-16 às 10 55 18

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Kouessan avatar Kouessan commented on May 27, 2024

This already looks way better now, thank you
So the fixed code will be released with the next update, right?

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DanWBR avatar DanWBR commented on May 27, 2024

This already looks way better now, thank you
So the fixed code will be released with the next update, right?

Yes, in v6.3 Update 4

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