[React reaction completion]

Hi Brian

 

I think I've attached the file, but if you can't see it, would it be possible to send me a mail so I can mail you the file rather?

Oxidation_model.rea

[React reaction completion]

Hi Brian

 

I've changed the parameters as suggested, but then there are non-convergence issues. Please find the attached script file.

 

regards

 

Robert

[React reaction completion]

Hi Brian

 

Thanks! I'll run the model again changing the parameters as suggested and if it doesn't work, I'll send you the script file so you can have a look.

 

Regards

 

Robert

[React reaction completion]

I have developed a React model in which I have a custom rate equation for the oxidation of pyrite together with a few kinetic minerals using the default rate equation, a fixed oxygen fugacity and a custom oxidation reaction for the oxidation of ferrous to ferric iron an resultant precipitation of ferrihydrite. The model will only run when I set the delxi to < 1e-7, which I have no problem with, but then the model runs up to 999999 steps and says "successful completion of reaction path", but the reaction progress variable is 0.1, which implies that the model has not run to completion. I have played around with "step_increase" and "delxi", but can't get the model to run beyond this point, i.e. step 999999 and 0.1. Does anyone have any ideas of what I can do to get the model to run to a progress variable value of 1?