Example 2 variation: boundaryWater composition not imported to COMSOL?

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3 months 3 weeks ago #332 by AhmedHussain
I am working on a variation on Example 2, where I look at the kinetics of the mineral Celestite. The Sr and S concentration are higher in the injected water (boundaryWater) than in the water initially in the porous medium (chemicalDomain). When I investigate the results in COMSOL I noticed that the Sr concentration for t>0s is independent of the injected-water composition. Could you please have a look at my input files and share your thoughts?

Kind regards,
Ahmed

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3 months 3 weeks ago #333 by Emilie Coene
Dear Ahmed,

The input files of your model are not attached. Have you tested the boundary condition in Comsol? You can specify any concentration at the boundary and check whether the solute is being transported inside of the domain. If that works, the error will be in the .json file.

Best regards,

Emilie

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3 months 3 weeks ago #335 by AhmedHussain

File Attachment:

File Name: Ex_2__2D_i...4-06.zip
File Size:3,190 KB


Dear Emilie,

Thank you for your reply. The documents are attached to this message.

I have tried this simulation before, but with Calcite, and it did seem to work then. So I maybe something went wrong in the .JSON file? Please let me know what you think.

Kind regards,
Ahmed
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3 months 3 weeks ago #336 by Emilie Coene
Dear Ahmed,

In the .json file your boundary condition is linked to the "bfc2" tag of your solute transport physics in Comsol. In the Comsol input file this boundary condition is disabled (see attached image). You need to enable it to have an effect on the model.

Best regrads,

Emilie

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3 months 3 weeks ago #337 by AhmedHussain
Dear Emilie,

Thank you for your reply. Indeed it is necessary to link the applicable tag in the .json file, and I have done as you suggested. I tried this both with Fixed Concentration boundary condition activated in COMSOL and "bfc2" in the .json and also with Open Boundary Condition "opb1". However, in both cases the water composition at the inlet is not equal to the PHREEQC water composition. When I investigate the results in COMSOL, the Boundary Concentration under the activated boundary condition shows concentrations equal to those in PHREEQC. Running the PHREEQC files separately also works fine (with and without KINETICS activated). When running the simulation without KINETICS activated in PHREEQC the concentrations in the COMSOL results are as expected, but as shown with KINETICS activated the results show unexpected values.

Please let me know what you think.

Kind regards,
Ahmed

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3 months 3 weeks ago #338 by Emilie Coene
Dear Ahmed,

I think your iCP model is working properly. In fact, if you run the model with KINETICS activated you can see that there is an inflow of S at the boundary. The reason why you can not see increased concentrations of Sr is that most of it precipitates as Celestite when it enters the domain, and it has much lower concentrations than S.

Best regards,

Emilie

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